data_2gl1_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 2gl1 _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 core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 N--CA 1.428 -1.55 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -138.42 133.05 32.32 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.52 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -145.05 165.56 27.88 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.97 145.69 55.59 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 123.688 0.795 . . . . 0.0 112.389 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.18 126.65 30.21 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -75.06 -45.38 41.91 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.024 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -95.91 17.11 15.98 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -103.88 98.86 8.64 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -102.22 108.59 20.01 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.816 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.47 172.51 12.56 Favored Glycine 0 N--CA 1.432 -1.579 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -75.2 154.15 41.36 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.187 1.925 . . . . 0.0 111.327 176.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.6 t -107.65 141.62 38.86 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.48 -19.84 5.75 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.995 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -144.29 138.54 28.0 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.82 -0.55 . . . . 0.0 110.664 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 m -61.07 -37.48 82.82 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.3 -30.04 60.88 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 121.475 -0.393 . . . . 0.0 113.029 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -75.8 -43.73 44.79 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.4 -46.4 70.1 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.814 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.488 ' CG ' ' HZ2' ' A' ' 25' ' ' LYS . 20.9 t70 -63.08 -39.87 96.0 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.83 -176.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.515 ' O ' ' HB3' ' A' ' 26' ' ' ASN . 21.8 t70 -63.34 -42.64 98.96 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -58.97 -49.61 77.23 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.981 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.9 m -69.32 -36.86 77.4 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 49.0 mttp -77.78 -58.56 3.2 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.385 0.612 . . . . 0.0 112.003 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.515 ' HB3' ' O ' ' A' ' 22' ' ' ASP . 12.8 t30 -72.48 -44.54 62.13 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 124.375 1.07 . . . . 0.0 112.748 -173.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -93.39 -48.04 6.6 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.517 -0.873 . . . . 0.0 112.276 -177.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -93.65 -7.08 44.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.489 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 85.6 m-70 53.66 45.74 27.39 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -110.11 -171.89 1.93 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.423 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -65.29 -66.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.926 0.87 . . . . 0.0 111.55 -172.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -144.41 177.02 8.94 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.15 135.8 6.22 Favored Glycine 0 N--CA 1.411 -2.981 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -128.02 144.48 51.11 Favored 'General case' 0 CA--C 1.457 -2.603 0 CA-C-O 122.442 1.115 . . . . 0.0 112.82 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.3 104.33 16.34 Favored 'General case' 0 C--N 1.271 -2.809 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -94.68 178.6 5.53 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 119.467 -0.893 . . . . 0.0 112.954 -171.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.23 -26.4 66.38 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.575 1.15 . . . . 0.0 112.064 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.59 4.37 18.76 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.073 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 69.41 10.01 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 173.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -111.76 165.35 12.13 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.865 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.6 124.05 33.67 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.425 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -116.54 127.64 54.71 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -95.23 132.6 40.02 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.3 m -94.3 139.49 31.0 Favored 'General case' 0 N--CA 1.407 -2.591 0 N-CA-C 105.701 -1.963 . . . . 0.0 105.701 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -138.46 144.68 40.2 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 117.977 0.353 . . . . 0.0 110.097 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -72.72 133.91 44.78 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.6 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.07 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 89.3 m . . . . . 0 N--CA 1.435 -1.206 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.421 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 31.2 tt0 -127.32 141.12 51.78 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.444 -171.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -145.32 159.4 43.09 Favored 'General case' 0 CA--C 1.481 -1.702 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.51 140.49 58.88 Favored 'General case' 0 N--CA 1.414 -2.269 0 C-N-CA 123.572 0.749 . . . . 0.0 110.143 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 136.31 58.04 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -82.19 -38.34 24.75 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.795 -173.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.0 p -107.81 8.44 28.75 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -175.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -106.06 126.2 51.91 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -141.04 129.55 22.6 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.94 175.74 14.35 Favored Glycine 0 N--CA 1.427 -1.945 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.11 108.75 1.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.06 2.507 . . . . 0.0 111.778 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 t -84.85 135.61 34.01 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.079 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -121.5 -33.99 3.53 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.965 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.9 m -115.92 124.98 51.94 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 121.527 0.68 . . . . 0.0 112.385 -173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 34' ' ' ARG . 18.0 m -59.62 -38.48 81.43 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.416 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.66 -36.53 79.03 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.739 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -70.65 -44.1 67.79 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.35 0.595 . . . . 0.0 109.413 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.75 -47.64 84.29 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.331 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.452 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 12.9 t70 -55.99 -52.85 62.72 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.615 1.166 . . . . 0.0 112.175 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.79 -43.05 94.61 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.617 0.573 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -59.73 -50.73 72.71 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.23 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.5 m -64.24 -37.03 86.02 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.666 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.85 -49.32 30.9 Favored 'General case' 0 N--CA 1.425 -1.709 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -81.14 -50.72 9.27 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -173.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -92.16 -35.86 13.62 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.586 -0.846 . . . . 0.0 111.531 -173.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -96.21 -7.75 34.84 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 119.617 -0.833 . . . . 0.0 112.683 -177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 47.45 53.5 10.93 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.861 1.264 . . . . 0.0 111.754 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.8 mt -116.11 -170.07 1.73 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.503 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -65.05 -68.31 0.37 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.355 0.598 . . . . 0.0 111.115 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 m -155.91 -178.45 7.31 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' HA ' ' A' ' 21' ' ' ASP . . . -141.1 145.06 15.43 Favored Glycine 0 N--CA 1.418 -2.535 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.502 ' HA ' HG22 ' A' ' 17' ' ' THR . 63.3 mtm180 -133.12 143.92 49.59 Favored 'General case' 0 CA--C 1.456 -2.649 0 CA-C-O 122.164 0.983 . . . . 0.0 112.244 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.0 t -99.95 110.81 23.14 Favored 'General case' 0 C--N 1.267 -2.985 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.155 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.573 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.6 mtp180 -99.26 178.87 4.77 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.882 -175.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.99 5.73 4.0 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -80.35 -13.86 58.82 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 69.38 27.82 4.91 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -170.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -124.71 149.74 46.91 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.007 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.8 t -83.86 126.21 32.74 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.546 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 65.4 m95 -113.65 122.62 47.73 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.97 129.9 43.1 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 t -101.25 152.02 21.18 Favored 'General case' 0 N--CA 1.406 -2.67 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 3' ' ' CYS . 13.8 ptp180 -136.52 150.71 48.8 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -80.48 120.88 25.05 Favored 'General case' 0 N--CA 1.396 -3.172 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 175.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.265 -3.066 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.349 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.6 m . . . . . 0 N--CA 1.427 -1.605 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.9 tt0 -121.25 134.64 55.18 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -174.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -143.49 159.11 43.02 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.34 139.38 58.19 Favored 'General case' 0 N--CA 1.419 -1.991 0 C-N-CA 123.995 0.918 . . . . 0.0 111.348 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.15 123.6 18.59 Favored 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 123.497 0.498 . . . . 0.0 110.183 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -64.86 -41.23 95.85 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.456 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 p -108.37 13.09 25.84 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -100.38 98.64 9.26 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -104.9 123.49 47.82 Favored 'General case' 0 C--N 1.273 -2.737 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.74 179.3 15.97 Favored Glycine 0 C--O 1.259 1.686 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -82.17 145.98 13.99 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 123.128 2.552 . . . . 0.0 111.918 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.4 t -108.56 138.22 45.23 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.001 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -126.55 -4.98 6.51 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.429 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.2 m -148.0 123.5 10.39 Favored 'General case' 0 CA--C 1.558 1.258 0 O-C-N 121.452 -0.78 . . . . 0.0 112.416 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 34' ' ' ARG . 45.5 m -58.25 -36.59 73.45 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.268 0.627 . . . . 0.0 111.678 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.76 -23.93 63.82 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.749 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.9 m -87.1 -36.6 18.02 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -69.7 -45.06 69.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.38 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.415 ' CG ' ' HZ2' ' A' ' 25' ' ' LYS . 22.7 t70 -59.79 -41.19 90.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.039 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.31 -49.92 70.92 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.537 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -61.34 -50.72 71.8 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.298 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.6 m -66.08 -36.45 83.22 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.003 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HZ2' ' CG ' ' A' ' 21' ' ' ASP . 46.8 mttp -77.39 -57.72 3.67 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 177.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -73.35 -41.35 63.56 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -171.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 -44.63 6.93 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 118.909 -1.116 . . . . 0.0 111.176 -175.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -93.63 -7.44 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 40.4 t-80 49.89 51.84 15.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.949 1.299 . . . . 0.0 112.412 179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.2 mt -111.69 -173.87 2.34 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.654 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -65.7 -64.04 0.95 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.549 0.69 . . . . 0.0 111.233 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 m -148.46 178.49 8.56 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.41 136.68 6.39 Favored Glycine 0 N--CA 1.421 -2.363 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HA ' HG23 ' A' ' 17' ' ' THR . 65.1 mtm180 -124.05 146.21 48.72 Favored 'General case' 0 CA--C 1.458 -2.573 0 CA-C-O 122.333 1.063 . . . . 0.0 112.73 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.8 t -103.73 106.12 16.54 Favored 'General case' 0 C--N 1.27 -2.851 0 CA-C-N 113.094 -1.866 . . . . 0.0 106.301 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.536 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.3 mtp180 -97.09 176.94 5.76 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.082 -171.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.37 -12.62 57.86 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.79 0.836 . . . . 0.0 113.166 -173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.489 ' OD2' ' HB2' ' A' ' 40' ' ' ARG . 4.2 p-10 -87.92 4.38 45.0 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.051 177.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 64.16 26.22 13.82 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 112.0 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 24.3 mmm180 -120.15 154.76 34.29 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.044 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -89.34 125.44 35.13 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.634 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.536 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 66.2 m95 -115.7 122.09 44.47 Favored 'General case' 0 C--N 1.286 -2.165 0 C-N-CA 123.992 0.917 . . . . 0.0 109.073 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -96.65 134.57 39.74 Favored 'General case' 0 C--N 1.285 -2.231 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.5 t -113.95 146.48 40.04 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -143.73 151.43 40.01 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -69.36 127.71 33.99 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--N 1.29 -2.018 0 CA-C-O 119.036 -0.507 . . . . 0.0 110.182 -178.237 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 N--CA 1.432 -1.356 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.407 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 32.2 tt0 -146.87 132.3 18.62 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -145.56 157.12 44.03 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.7 mt -54.23 140.41 32.84 Favored 'General case' 0 N--CA 1.42 -1.959 0 C-N-CA 124.74 1.216 . . . . 0.0 111.813 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.59 129.56 41.67 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.307 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -62.71 -44.92 94.99 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 123.331 0.652 . . . . 0.0 111.558 -174.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 p -106.8 18.85 21.3 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -174.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.527 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 42.6 t80 -100.43 89.6 4.01 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 119.694 -0.802 . . . . 0.0 108.848 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -96.74 94.66 7.42 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.104 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.2 175.16 22.05 Favored Glycine 0 N--CA 1.43 -1.733 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -69.69 147.35 63.1 Favored 'Trans proline' 0 C--O 1.252 1.188 0 C-N-CA 122.895 2.397 . . . . 0.0 111.743 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 47.0 t -88.38 141.13 28.79 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.937 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -92.17 -70.17 0.71 Allowed 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.174 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 p -142.58 170.03 16.46 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.698 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 33' ' ' GLY . 23.7 m -61.69 -32.22 72.41 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.188 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.05 -36.26 92.04 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.711 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.9 p -83.18 -33.09 26.26 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 117.291 0.546 . . . . 0.0 110.308 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.83 -47.51 65.84 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.044 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' CG ' ' HZ1' ' A' ' 25' ' ' LYS . 18.6 t70 -62.97 -39.81 95.82 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.007 0.523 . . . . 0.0 110.131 -178.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -51.82 -47.62 64.24 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.256 175.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -68.54 -49.52 58.92 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.768 -1.106 . . . . 0.0 111.32 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.9 m -65.84 -31.64 72.71 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HZ1' ' CG ' ' A' ' 21' ' ' ASP . 46.8 mttp -81.22 -62.88 1.53 Allowed 'General case' 0 N--CA 1.423 -1.807 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -67.93 -44.89 75.82 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -172.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -88.72 -47.06 8.51 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.392 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.9 -9.0 29.4 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -171.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.4 m80 56.25 38.47 29.83 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.873 0.869 . . . . 0.0 112.589 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -102.81 -165.46 1.18 Allowed 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.976 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 44' ' ' THR . 6.3 tpm_? -69.79 -69.67 0.33 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.772 0.796 . . . . 0.0 111.232 -175.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -149.89 -178.84 6.7 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' HG23 ' A' ' 17' ' ' THR . . . -146.44 128.65 3.09 Favored Glycine 0 N--CA 1.414 -2.819 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 176.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -121.41 144.78 48.49 Favored 'General case' 0 CA--C 1.46 -2.512 0 CA-C-O 122.638 1.209 . . . . 0.0 112.828 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.2 t -97.93 110.25 22.86 Favored 'General case' 0 N--CA 1.399 -2.99 0 CA-C-N 112.991 -1.913 . . . . 0.0 107.674 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 30.7 mtp180 -96.12 169.45 9.95 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.78 -176.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -78.04 7.02 6.7 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 122.738 1.256 . . . . 0.0 110.117 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 36' ' ' ARG . 22.0 t70 -78.85 -17.82 55.02 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 112.74 -2.027 . . . . 0.0 108.209 172.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 69.78 17.23 7.72 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 125.547 1.539 . . . . 0.0 113.662 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -121.17 157.19 30.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 174.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.4 t -83.83 128.16 34.34 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 123.442 0.464 . . . . 0.0 110.082 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.519 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 47.1 m95 -116.61 116.74 28.14 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.708 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.5 m -87.68 130.71 34.71 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.423 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 24.0 m -84.96 145.74 27.59 Favored 'General case' 0 N--CA 1.406 -2.631 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -143.77 139.61 29.49 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 121.348 0.594 . . . . 0.0 110.429 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.22 133.83 47.44 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.509 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 C--N 1.297 -1.692 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.1 m . . . . . 0 CA--C 1.501 -0.928 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 33.8 tt0 -126.37 126.85 44.57 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 -178.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.67 156.95 45.11 Favored 'General case' 0 CA--C 1.484 -1.585 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.81 143.2 43.08 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 124.437 1.095 . . . . 0.0 112.664 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.28 133.83 48.39 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -84.9 -36.13 21.69 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -172.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.75 15.27 29.46 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.694 0.759 . . . . 0.0 110.535 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 25.1 t80 -93.93 108.59 20.37 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -98.17 123.59 42.3 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.292 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.8 -176.09 21.94 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.825 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.23 155.24 32.89 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 C-N-CA 122.68 2.253 . . . . 0.0 111.057 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 42.4 t -88.06 152.56 21.93 Favored 'General case' 0 N--CA 1.408 -2.527 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.837 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -113.97 -54.88 2.56 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.74 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -139.51 150.37 45.04 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.208 -176.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.443 HG22 ' HA ' ' A' ' 34' ' ' ARG . 42.8 m -55.54 -47.59 76.09 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.852 0.861 . . . . 0.0 112.579 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.47 -29.77 70.12 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.353 -0.451 . . . . 0.0 113.644 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 t -78.05 -39.15 42.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.07 -43.65 86.76 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.12 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.54 -46.32 89.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 123.792 0.837 . . . . 0.0 109.977 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -56.22 -51.93 66.3 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.161 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -57.06 -48.88 77.48 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.548 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -65.26 -41.67 94.04 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -76.0 -49.15 18.46 Favored 'General case' 0 N--CA 1.426 -1.638 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -75.03 -54.87 6.41 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-O 121.058 0.456 . . . . 0.0 111.967 -175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -86.4 -52.09 5.82 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -78.37 -18.43 55.11 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.609 0.718 . . . . 0.0 111.806 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.8 m80 67.18 31.21 6.83 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 114.172 -1.376 . . . . 0.0 111.492 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -98.96 -167.03 1.43 Allowed 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.879 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.532 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 13.2 ttp180 -82.56 -57.81 3.18 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.925 0.393 . . . . 0.0 111.663 -169.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.5 m -151.91 -179.25 7.31 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.64 144.07 11.22 Favored Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HA ' HG22 ' A' ' 17' ' ' THR . 54.5 mtm180 -132.4 154.19 50.06 Favored 'General case' 0 CA--C 1.464 -2.35 0 CA-C-O 122.626 1.203 . . . . 0.0 112.639 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 t -111.27 99.08 7.97 Favored 'General case' 0 C--N 1.268 -2.935 0 CA-C-N 113.127 -1.851 . . . . 0.0 107.28 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -89.02 -178.98 5.83 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.566 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.03 -23.85 65.73 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -80.12 0.37 32.42 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.983 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 63.54 26.68 14.82 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.129 0.972 . . . . 0.0 113.278 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -116.74 154.29 30.9 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -79.89 117.13 20.47 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.865 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.412 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 49.5 m95 -109.68 116.9 32.56 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.003 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.0 m -85.58 130.88 34.47 Favored 'General case' 0 C--N 1.277 -2.553 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -93.84 137.22 33.31 Favored 'General case' 0 N--CA 1.403 -2.794 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.532 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 8.3 ptm180 -143.92 159.65 42.19 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 119.262 -0.975 . . . . 0.0 113.207 -175.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -73.37 123.29 23.52 Favored 'General case' 0 N--CA 1.388 -3.53 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.254 -3.581 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -170.879 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 N--CA 1.417 -2.116 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 26.8 tt0 -143.03 135.17 27.14 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.02 -176.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -140.32 168.65 19.32 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -71.41 146.35 48.76 Favored 'General case' 0 C--N 1.291 -1.96 0 C-N-CA 123.739 0.816 . . . . 0.0 111.713 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.6 139.68 45.7 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -92.74 -32.55 14.66 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.604 -173.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -102.38 3.41 37.85 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.642 0.734 . . . . 0.0 112.412 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -99.54 84.56 2.98 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -96.33 121.13 37.79 Favored 'General case' 0 C--N 1.275 -2.663 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.126 -175.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.88 -170.72 19.3 Favored Glycine 0 C--N 1.301 -1.399 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -173.11 1.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.529 2.153 . . . . 0.0 111.052 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.8 m -69.43 119.58 13.91 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.728 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.96 -56.51 3.52 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 169.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.66 141.97 14.9 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.182 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.433 HG23 ' HA ' ' A' ' 34' ' ' ARG . 63.3 m -57.28 -47.55 81.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.873 0.869 . . . . 0.0 110.646 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.99 -35.69 92.44 Favored Glycine 0 C--O 1.224 -0.477 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.718 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -78.23 -26.12 47.21 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.223 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.5 t -65.91 -43.82 87.05 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.439 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 28.8 t70 -61.2 -54.56 42.7 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.293 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.7 -40.91 80.56 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.106 0.479 . . . . 0.0 110.709 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -59.23 -53.45 58.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.83 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.69 -36.39 82.75 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.587 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -71.04 -55.88 7.32 Favored 'General case' 0 N--CA 1.421 -1.881 0 C-N-CA 122.87 0.468 . . . . 0.0 112.079 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -73.36 -59.58 2.65 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -81.16 -37.27 29.05 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-O 120.892 0.377 . . . . 0.0 111.822 -170.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -104.89 1.06 28.56 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 119.15 -1.02 . . . . 0.0 113.065 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 56.97 29.16 15.88 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.55 1.14 . . . . 0.0 112.626 171.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.0 mt -101.92 -170.33 1.8 Allowed 'General case' 0 C--N 1.31 -1.151 0 O-C-N 121.967 -0.458 . . . . 0.0 111.872 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -71.31 -63.75 1.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.351 0.66 . . . . 0.0 112.397 -173.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 m -149.45 -179.12 6.83 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' HA ' ' A' ' 21' ' ' ASP . . . -151.74 146.1 14.52 Favored Glycine 0 N--CA 1.422 -2.248 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 176.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HA ' HG23 ' A' ' 17' ' ' THR . 41.8 mtm180 -147.97 156.92 43.2 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.863 0.84 . . . . 0.0 112.219 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.9 t -90.61 130.54 36.62 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 113.907 -1.497 . . . . 0.0 107.035 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.63 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 56.0 mtp180 -115.32 172.62 6.97 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.377 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.24 -14.83 28.82 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -174.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.416 ' OD2' ' HB2' ' A' ' 40' ' ' ARG . 4.4 p-10 -89.37 7.85 33.68 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 123.096 0.558 . . . . 0.0 111.68 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 66.55 20.16 10.83 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.06 1.344 . . . . 0.0 112.754 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.416 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 21.8 mmm180 -115.75 155.3 28.05 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.234 0.54 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -86.9 121.55 29.53 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.632 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.63 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 55.5 m95 -110.83 128.27 55.71 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.2 m -98.27 130.46 44.97 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -88.46 149.59 23.59 Favored 'General case' 0 N--CA 1.407 -2.602 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -140.1 142.59 36.07 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -71.9 138.54 48.23 Favored 'General case' 0 N--CA 1.414 -2.242 0 CA-C-O 121.512 0.672 . . . . 0.0 112.082 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 C--N 1.286 -2.153 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 176.886 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 N--CA 1.43 -1.473 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -145.42 131.8 19.63 Favored 'General case' 0 N--CA 1.416 -2.133 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -147.82 164.64 33.02 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.54 145.22 43.63 Favored 'General case' 0 N--CA 1.383 -3.82 0 C-N-CA 122.633 0.373 . . . . 0.0 110.194 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.53 118.91 10.81 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.407 ' ND2' HG22 ' A' ' 9' ' ' THR . 3.3 p-10 -75.8 -23.48 55.86 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.347 -172.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.407 HG22 ' ND2' ' A' ' 8' ' ' ASN . 2.7 p -106.31 5.8 29.99 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 54.4 t80 -94.18 103.94 15.97 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 174.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -105.01 111.83 24.75 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.748 -171.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.45 -166.11 15.99 Favored Glycine 0 N--CA 1.432 -1.628 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.919 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -81.13 147.42 16.42 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 123.317 2.678 . . . . 0.0 112.24 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.496 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 51.7 t -83.13 128.55 34.59 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.114 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -106.47 -31.58 8.48 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.2 m -152.52 136.63 16.49 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 121.738 -0.601 . . . . 0.0 111.444 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 34' ' ' ARG . 26.3 m -58.25 -44.81 88.5 Favored 'General case' 0 C--O 1.208 -1.097 0 C-N-CA 124.096 0.958 . . . . 0.0 111.001 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.83 -30.3 69.22 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.877 -0.201 . . . . 0.0 112.847 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -78.56 -42.91 27.93 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -59.6 -50.53 73.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.344 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 17.8 t70 -54.65 -49.35 70.77 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 124.415 1.086 . . . . 0.0 110.446 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.2 -46.27 83.02 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 123.676 0.61 . . . . 0.0 111.003 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -60.65 -47.35 86.63 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.701 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -65.46 -34.99 79.57 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.294 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 70.8 mmtt -66.66 -68.84 0.34 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.754 0.788 . . . . 0.0 110.973 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.27 -47.17 45.18 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.738 -1.119 . . . . 0.0 113.267 -171.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -85.75 -49.2 8.13 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.226 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -94.57 -0.71 54.32 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 119.362 -0.935 . . . . 0.0 113.169 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 56.08 36.37 27.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.176 0.99 . . . . 0.0 113.088 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -107.57 -172.8 2.14 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.779 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 2.1 tmt_? -73.73 -57.93 3.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.678 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 m -153.56 -178.29 6.91 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.9 140.29 7.95 Favored Glycine 0 N--CA 1.426 -1.988 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' HA ' HG22 ' A' ' 17' ' ' THR . 77.0 mtm180 -130.91 149.18 52.66 Favored 'General case' 0 CA--C 1.457 -2.608 0 CA-C-O 122.538 1.161 . . . . 0.0 113.031 -178.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 t -94.19 96.82 9.85 Favored 'General case' 0 N--CA 1.401 -2.876 0 CA-C-N 112.848 -1.978 . . . . 0.0 107.483 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.516 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 57.5 mtp180 -87.18 161.03 18.29 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.731 -176.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -75.32 76.14 2.42 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.187 0.994 . . . . 0.0 108.906 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -163.14 9.17 0.05 Allowed 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 113.361 -1.745 . . . . 0.0 108.28 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 56.21 19.01 3.59 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 124.268 1.027 . . . . 0.0 112.93 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -125.48 145.81 49.92 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 121.698 0.761 . . . . 0.0 112.208 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.5 t -82.8 121.72 27.27 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 113.762 -1.563 . . . . 0.0 108.405 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.516 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 54.3 m95 -113.42 115.96 28.89 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.22 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.0 m -82.78 136.49 34.66 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 t -125.02 148.65 48.38 Favored 'General case' 0 N--CA 1.407 -2.62 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 12.9 ptm180 -149.44 160.08 43.75 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -76.97 143.86 39.15 Favored 'General case' 0 N--CA 1.391 -3.378 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.294 -1.807 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 177.036 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 N--CA 1.428 -1.565 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 39.6 tt0 -102.69 113.05 26.12 Favored 'General case' 0 C--N 1.283 -2.307 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -137.39 152.74 49.99 Favored 'General case' 0 CA--C 1.47 -2.109 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.2 mt -52.2 139.93 22.52 Favored 'General case' 0 N--CA 1.424 -1.773 0 O-C-N 124.802 1.314 . . . . 0.0 112.062 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.55 148.28 20.02 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.294 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -85.97 -36.99 19.48 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.892 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 m -116.86 22.93 12.29 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.748 0.785 . . . . 0.0 111.089 -173.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -104.22 127.62 51.86 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -143.22 110.59 5.77 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.45 -177.71 21.47 Favored Glycine 0 C--N 1.292 -1.91 0 N-CA-C 108.926 -1.67 . . . . 0.0 108.926 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -85.93 154.49 9.94 Favored 'Trans proline' 0 N--CA 1.435 -1.918 0 CA-C-N 119.392 1.596 . . . . 0.0 111.474 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 t -112.44 160.51 17.69 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.88 -61.0 0.68 Allowed 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.51 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 24.6 m -97.83 132.88 43.04 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.018 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' HA ' ' A' ' 34' ' ' ARG . 86.5 m -56.2 -41.93 76.36 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.663 0.785 . . . . 0.0 112.005 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.02 -21.38 65.69 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.179 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.51 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 12.4 m -73.46 -35.55 65.75 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -178.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -71.12 -39.46 72.02 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.001 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 23.8 t70 -62.23 -42.06 98.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.451 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -54.64 -50.66 67.6 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.821 173.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -60.35 -51.73 68.27 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.953 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.9 m -65.9 -35.5 80.79 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.841 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 8.1 mmtp -82.36 -52.86 6.51 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -78.09 -39.61 40.94 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -175.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -91.35 -50.02 6.04 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.794 -0.762 . . . . 0.0 111.957 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.21 -9.55 41.84 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.422 -174.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.436 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 14.4 t-80 58.07 37.59 26.5 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.64 1.176 . . . . 0.0 110.957 175.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.6 mt -98.36 -170.84 2.02 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.245 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -69.98 -57.22 5.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.031 0.443 . . . . 0.0 111.995 -171.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.0 m -160.23 -179.08 7.43 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.94 147.51 18.03 Favored Glycine 0 N--CA 1.427 -1.939 0 O-C-N 123.833 0.708 . . . . 0.0 111.388 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HA ' HG22 ' A' ' 17' ' ' THR . 54.6 mtm180 -137.08 160.22 39.6 Favored 'General case' 0 CA--C 1.473 -2.003 0 CA-C-O 121.84 0.829 . . . . 0.0 111.593 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 14.0 t -108.37 108.59 19.62 Favored 'General case' 0 C--N 1.268 -2.945 0 CA-C-N 114.254 -1.339 . . . . 0.0 108.154 -177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.684 ' HB2' ' CD1' ' A' ' 42' ' ' TRP . 44.5 mtp180 -120.6 178.45 4.68 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 62.77 12.28 5.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.798 0.839 . . . . 0.0 112.138 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.1 t70 77.27 -3.83 2.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.26 1.824 . . . . 0.0 111.601 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -171.76 15.08 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -118.4 142.75 47.23 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 119.5 1.045 . . . . 0.0 111.523 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.2 t -91.83 120.08 32.21 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.18 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.684 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 52.4 m95 -111.84 116.87 31.39 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.796 179.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -96.19 129.56 43.47 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 8.6 m -90.89 136.36 33.12 Favored 'General case' 0 N--CA 1.405 -2.724 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -141.0 142.99 34.19 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -69.38 123.41 21.15 Favored 'General case' 0 N--CA 1.411 -2.376 0 CA-C-O 121.327 0.584 . . . . 0.0 109.595 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.279 -2.492 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.075 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.423 -1.785 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -131.74 126.2 33.87 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -138.86 165.82 26.05 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.85 142.43 58.44 Favored 'General case' 0 N--CA 1.403 -2.805 0 O-C-N 123.826 0.704 . . . . 0.0 111.84 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.72 121.68 14.55 Favored 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -75.04 -23.56 58.15 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.967 -174.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 p -106.35 15.27 26.3 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.786 -0.766 . . . . 0.0 112.461 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.537 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 45.6 t80 -124.26 120.02 31.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -119.32 173.11 7.15 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.18 -165.71 52.18 Favored Glycine 0 N--CA 1.434 -1.474 0 O-C-N 123.495 0.497 . . . . 0.0 112.409 177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -74.19 145.87 35.47 Favored 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 122.522 2.148 . . . . 0.0 111.538 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.537 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 27.8 t -81.38 133.79 35.47 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.265 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -84.72 -59.79 2.25 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.083 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 p -149.44 163.26 38.26 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 120.708 0.29 . . . . 0.0 111.04 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 34' ' ' ARG . 30.6 m -63.5 -33.83 76.44 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 172.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.18 -43.33 95.41 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 115.657 -0.702 . . . . 0.0 113.029 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 p -81.15 -32.94 33.45 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 117.27 0.535 . . . . 0.0 110.802 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.58 -46.63 84.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.557 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -62.37 -43.98 97.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.63 0.772 . . . . 0.0 110.135 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.41 -52.01 63.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.668 0.787 . . . . 0.0 109.876 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -60.91 -51.16 70.45 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.96 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.1 m -65.05 -34.31 78.11 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.46 -48.96 12.05 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.45 -46.92 24.85 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -90.1 -49.01 6.82 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.47 -6.22 50.28 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.012 -1.075 . . . . 0.0 112.504 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.7 m80 56.06 33.5 22.01 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.758 1.223 . . . . 0.0 113.086 174.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.4 mt -100.81 -173.86 2.49 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.474 ' HA ' ' HE ' ' A' ' 31' ' ' ARG . 1.1 tpm_? -60.57 -60.44 3.81 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.744 0.818 . . . . 0.0 111.664 -172.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 m -159.03 -178.94 7.6 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.63 140.16 9.65 Favored Glycine 0 C--N 1.286 -2.22 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HA ' HG22 ' A' ' 17' ' ' THR . 23.9 mtm180 -132.56 148.56 52.37 Favored 'General case' 0 CA--C 1.469 -2.156 0 CA-C-O 122.511 1.148 . . . . 0.0 113.443 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.2 t -99.71 117.48 34.15 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 113.118 -1.856 . . . . 0.0 107.753 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -101.77 -172.07 2.09 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.648 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.73 -15.29 60.3 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.359 0.6 . . . . 0.0 111.587 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.3 -3.97 56.3 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.762 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 51.57 51.97 15.63 Favored 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 125.029 1.332 . . . . 0.0 114.208 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -133.82 160.29 38.08 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.0 t -84.78 122.82 29.67 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 123.35 0.407 . . . . 0.0 109.92 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 m95 -111.16 124.81 52.95 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.2 m -94.97 129.32 42.07 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.8 m -90.37 133.76 34.77 Favored 'General case' 0 N--CA 1.403 -2.788 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -133.03 142.9 49.04 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.255 173.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.42 128.94 33.98 Favored 'General case' 0 N--CA 1.411 -2.412 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.077 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.279 -2.496 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.508 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.435 -1.198 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.428 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 30.4 tt0 -116.03 135.74 53.67 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -140.11 167.81 21.27 Favored 'General case' 0 CA--C 1.471 -2.067 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.1 142.77 41.6 Favored 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.408 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.55 134.5 55.64 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 124.013 0.82 . . . . 0.0 109.557 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -81.18 -44.44 17.84 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.046 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 m -86.89 -11.98 49.15 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.753 0.787 . . . . 0.0 111.776 -171.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 41.8 t80 -87.47 103.32 15.4 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -178.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.54 122.24 46.25 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -178.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.91 -175.44 15.88 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.671 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.99 152.85 18.99 Favored 'Trans proline' 0 N--CA 1.44 -1.626 0 C-N-CA 122.91 2.407 . . . . 0.0 112.766 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.401 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 32.1 t -106.43 141.75 37.22 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 114.32 -1.309 . . . . 0.0 107.609 176.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' C ' ' HG1' ' A' ' 16' ' ' THR . 88.4 m-85 -118.56 -22.33 7.57 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.025 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.421 ' HG1' ' C ' ' A' ' 15' ' ' PHE . 89.4 m -153.99 138.94 17.22 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 120.856 0.36 . . . . 0.0 111.711 -177.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 34' ' ' ARG . 19.7 m -51.83 -39.0 58.09 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.989 1.316 . . . . 0.0 113.357 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.41 66.37 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 121.988 -0.149 . . . . 0.0 113.358 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.0 m -76.04 -26.74 56.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.599 0.714 . . . . 0.0 109.294 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.2 t -82.45 -48.88 10.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.429 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.98 -49.82 75.5 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 123.832 0.853 . . . . 0.0 112.518 -176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.44 -42.14 95.49 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -61.56 -50.04 74.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.494 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.1 m -63.31 -34.62 78.1 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.851 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -78.72 -56.11 4.66 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 120.788 0.327 . . . . 0.0 111.807 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -67.4 -54.24 22.16 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 123.707 0.803 . . . . 0.0 112.331 -174.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -93.8 -41.46 9.64 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.541 -0.464 . . . . 0.0 112.048 -171.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.251 11.5 mt-10 -95.59 -7.85 36.63 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 118.745 -1.182 . . . . 0.0 113.185 -175.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.3 m80 61.14 29.93 19.1 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -100.66 -170.37 1.85 Allowed 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.56 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.542 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 37.9 ttt180 -63.72 -65.68 0.65 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.364 0.602 . . . . 0.0 112.297 -173.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.7 m -155.91 -179.04 7.75 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 -175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.3 142.22 11.16 Favored Glycine 0 C--N 1.288 -2.111 0 N-CA-C 110.239 -1.145 . . . . 0.0 110.239 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HA ' HG22 ' A' ' 17' ' ' THR . 60.0 mtm180 -134.09 148.79 51.07 Favored 'General case' 0 CA--C 1.465 -2.291 0 CA-C-O 122.413 1.101 . . . . 0.0 112.703 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.0 t -101.84 116.48 32.8 Favored 'General case' 0 C--N 1.272 -2.765 0 CA-C-N 113.422 -1.717 . . . . 0.0 106.866 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.66 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 69.7 mtp180 -105.46 -179.78 4.04 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.458 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.9 -15.26 61.78 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.204 0.602 . . . . 0.0 112.163 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.72 -21.71 66.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.833 0.853 . . . . 0.0 109.409 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 65.61 32.25 9.34 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.727 1.251 . . . . 0.0 107.673 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -121.99 150.72 41.67 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.769 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.9 t -83.15 120.45 25.81 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.605 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.66 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 72.1 m95 -109.59 117.61 34.4 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.068 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 70.3 m -93.2 131.0 38.69 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -96.92 144.28 26.99 Favored 'General case' 0 N--CA 1.406 -2.655 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -133.38 154.21 50.94 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.542 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 94.8 m-20 -83.76 126.94 33.42 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.283 -2.303 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.803 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 N--CA 1.431 -1.411 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 31.5 tt0 -121.71 139.41 53.61 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -171.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -146.46 163.98 33.95 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.424 HD11 ' NH1' ' A' ' 40' ' ' ARG . 72.2 mt -69.03 138.63 54.61 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 124.448 1.099 . . . . 0.0 110.947 -177.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.62 106.91 4.22 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -80.93 -6.54 58.82 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -105.26 7.92 33.7 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 122.211 1.005 . . . . 0.0 108.516 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -111.02 120.71 43.29 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -121.84 137.71 54.67 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.477 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.16 161.17 14.59 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.594 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.31 142.44 79.35 Favored 'Trans proline' 0 C--O 1.246 0.904 0 C-N-CA 122.711 2.274 . . . . 0.0 112.029 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.54 137.53 46.34 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.547 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -129.78 1.7 4.9 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.0 m -146.96 128.65 15.2 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.438 -0.789 . . . . 0.0 111.912 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -59.7 -46.57 88.7 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.41 1.084 . . . . 0.0 111.254 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.21 -26.84 71.78 Favored Glycine 0 C--O 1.221 -0.701 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.7 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -73.87 -29.61 62.19 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.781 0.801 . . . . 0.0 109.09 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.54 -43.09 27.57 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.586 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.11 -46.78 84.99 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.939 0.496 . . . . 0.0 110.242 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -49.43 -49.65 44.16 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.535 1.134 . . . . 0.0 110.437 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.35 -52.91 42.24 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.716 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.23 -36.72 82.86 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.72 -56.62 4.44 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 121.197 0.522 . . . . 0.0 112.139 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -77.41 -40.17 44.53 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -172.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -93.02 -45.3 7.99 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.108 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -99.41 -1.22 39.22 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.14 -1.024 . . . . 0.0 113.719 -173.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.6 m80 57.8 30.68 19.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.214 1.006 . . . . 0.0 112.754 172.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.62 -171.07 1.99 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 2.3 tmt_? -72.65 -63.51 1.15 Allowed 'General case' 0 C--N 1.309 -1.168 0 O-C-N 123.187 0.305 . . . . 0.0 111.146 -171.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.0 m -147.39 -176.84 5.39 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.23 139.56 7.56 Favored Glycine 0 N--CA 1.422 -2.292 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -131.47 153.78 49.4 Favored 'General case' 0 CA--C 1.455 -2.707 0 CA-C-O 122.823 1.297 . . . . 0.0 111.969 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.1 t -107.78 108.36 19.53 Favored 'General case' 0 C--N 1.254 -3.56 0 CA-C-N 113.03 -1.896 . . . . 0.0 107.266 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.654 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 22.2 mtp180 -94.47 175.91 6.5 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.022 -174.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -76.55 1.42 16.76 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 122.384 1.088 . . . . 0.0 109.811 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.43 -10.58 59.75 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 113.821 -1.536 . . . . 0.0 108.743 174.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 68.93 18.53 8.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.827 1.251 . . . . 0.0 111.742 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.424 ' NH1' HD11 ' A' ' 6' ' ' LEU . 60.3 mtp180 -123.55 160.22 27.48 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 177.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.55 123.58 29.9 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.222 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.654 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 63.4 m95 -114.0 122.43 46.91 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.39 135.02 33.95 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.9 140.48 37.64 Favored 'General case' 0 N--CA 1.408 -2.534 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.482 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 37.7 ptt180 -140.38 152.98 46.19 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -78.83 132.64 36.93 Favored 'General case' 0 N--CA 1.419 -1.995 0 C-N-CA 123.381 0.672 . . . . 0.0 111.47 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.293 -1.864 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.518 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.0 tt0 -110.23 133.39 53.28 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.683 0.278 . . . . 0.0 110.266 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -150.01 161.3 42.61 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.7 mt -57.12 146.87 26.29 Favored 'General case' 0 C--N 1.277 -2.57 0 C-N-CA 126.236 1.814 . . . . 0.0 113.176 -175.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.31 147.16 51.53 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -98.14 -30.72 12.49 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.22 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -107.61 9.06 29.43 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -87.16 119.51 27.47 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -115.89 142.5 46.7 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.672 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.31 148.82 22.17 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.4 128.41 26.03 Favored 'Trans proline' 0 C--O 1.245 0.862 0 C-N-CA 122.314 2.009 . . . . 0.0 110.987 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.62 133.72 34.1 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.692 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -133.81 3.72 3.52 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.087 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -144.06 119.32 10.18 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.577 -0.702 . . . . 0.0 111.941 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.463 HG21 ' HA ' ' A' ' 34' ' ' ARG . 25.5 m -59.97 -36.02 76.23 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 122.694 0.398 . . . . 0.0 110.998 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.75 -26.76 69.0 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 121.466 -0.397 . . . . 0.0 112.441 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -83.95 -38.59 20.81 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.8 t -65.75 -52.13 53.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.163 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.95 -43.24 77.3 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 124.001 0.92 . . . . 0.0 110.867 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.34 -48.55 78.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.454 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.78 -46.48 81.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.466 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.83 -27.78 69.11 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.727 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 79.7 mttt -88.21 -56.77 3.18 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -67.46 -46.62 72.5 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.018 0.437 . . . . 0.0 112.13 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -92.38 -53.43 4.22 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.288 -173.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -88.93 -17.4 29.62 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -172.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.405 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 92.3 m-70 57.32 45.1 20.7 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 177.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -105.78 -169.08 1.53 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.537 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 4.5 tpm_? -60.38 -61.93 2.23 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 122.947 0.499 . . . . 0.0 112.2 -174.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.0 m -163.36 -174.49 3.8 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.54 138.36 7.14 Favored Glycine 0 N--CA 1.419 -2.484 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HA ' HG21 ' A' ' 17' ' ' THR . 77.6 mtm180 -125.82 145.24 50.31 Favored 'General case' 0 CA--C 1.462 -2.427 0 CA-C-O 122.277 1.037 . . . . 0.0 112.05 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.4 t -104.32 111.37 23.98 Favored 'General case' 0 C--N 1.268 -2.961 0 CA-C-N 113.762 -1.563 . . . . 0.0 107.514 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -104.5 179.55 4.24 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.606 -173.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.0 -4.51 4.69 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 124.792 1.237 . . . . 0.0 111.767 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.85 -15.34 61.16 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.6 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 68.7 19.76 8.41 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.266 1.426 . . . . 0.0 110.456 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -125.58 159.49 31.99 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.511 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.0 t -86.73 125.08 33.66 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 124.187 0.929 . . . . 0.0 109.47 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 46.5 m95 -113.39 110.68 20.72 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 123.997 0.919 . . . . 0.0 109.734 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.4 m -86.74 133.23 33.68 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 8.8 m -92.56 146.19 23.86 Favored 'General case' 0 N--CA 1.404 -2.758 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -135.55 159.01 42.94 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 81.8 m-20 -69.47 136.75 51.92 Favored 'General case' 0 N--CA 1.409 -2.477 0 C-N-CA 123.361 0.664 . . . . 0.0 109.321 175.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.29 -2.001 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 176.689 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m . . . . . 0 N--CA 1.435 -1.205 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.54 146.02 51.58 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -154.36 164.65 38.28 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.62 145.11 53.21 Favored 'General case' 0 N--CA 1.413 -2.322 0 C-N-CA 124.494 1.118 . . . . 0.0 111.902 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.9 107.99 6.45 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 172.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.79 -4.87 53.95 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -170.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.1 p -116.3 9.48 14.52 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.123 173.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -101.81 89.75 3.77 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -95.39 132.7 40.15 Favored 'General case' 0 C--N 1.275 -2.662 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.761 -175.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.57 -178.47 18.07 Favored Glycine 0 N--CA 1.426 -2.007 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.77 133.66 11.56 Favored 'Trans proline' 0 N--CA 1.445 -1.344 0 C-N-CA 122.533 2.155 . . . . 0.0 111.67 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t -94.38 145.29 24.86 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -127.12 -50.15 1.44 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -112.59 138.58 49.16 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 34' ' ' ARG . 23.7 m -60.03 -35.94 76.19 Favored 'General case' 0 C--O 1.211 -0.973 0 C-N-CA 123.555 0.742 . . . . 0.0 111.988 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.96 -32.73 83.15 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.166 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 m -74.98 -36.28 62.04 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.92 -48.86 62.25 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.931 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.92 -48.88 74.89 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.151 1.38 . . . . 0.0 110.999 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.45 -49.55 76.9 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 123.54 0.525 . . . . 0.0 110.72 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -60.06 -47.82 84.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.692 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.82 -36.22 83.18 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -76.23 -54.83 6.22 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-O 120.466 0.174 . . . . 0.0 111.404 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -64.77 -52.56 56.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.653 0.781 . . . . 0.0 112.435 -175.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 10.5 tmtt? -95.12 -50.27 5.14 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.606 -172.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.25 22.3 mt-10 -87.28 -6.0 58.7 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.094 -1.043 . . . . 0.0 112.637 -170.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.2 m80 62.89 26.33 15.5 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 125.279 1.432 . . . . 0.0 112.089 171.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -97.34 -171.9 2.3 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.672 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -68.69 -56.08 9.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.657 0.742 . . . . 0.0 111.019 -171.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 m -160.85 -175.44 4.94 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.05 138.36 7.7 Favored Glycine 0 N--CA 1.42 -2.42 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HA ' HG23 ' A' ' 17' ' ' THR . 24.9 mtm180 -124.02 142.48 51.14 Favored 'General case' 0 CA--C 1.452 -2.813 0 CA-C-O 122.481 1.134 . . . . 0.0 111.943 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.1 t -96.5 125.25 40.85 Favored 'General case' 0 C--N 1.261 -3.242 0 CA-C-N 113.484 -1.689 . . . . 0.0 106.972 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.668 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.5 mtp180 -108.64 161.8 14.74 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.728 -177.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.38 -10.16 30.98 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.591 1.156 . . . . 0.0 113.643 -169.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -88.37 11.45 16.78 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.936 0.874 . . . . 0.0 110.311 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 71.03 21.97 4.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.706 1.202 . . . . 0.0 112.765 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -121.63 148.89 43.96 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.445 -0.902 . . . . 0.0 111.893 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.6 t -83.67 132.14 34.89 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.328 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.668 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 49.9 m95 -121.32 122.37 39.71 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.2 m -89.54 129.69 35.98 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 m -93.29 135.25 34.69 Favored 'General case' 0 N--CA 1.411 -2.402 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -137.31 146.97 45.28 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.644 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -63.27 127.28 30.58 Favored 'General case' 0 N--CA 1.414 -2.228 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 C--N 1.283 -2.313 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -170.175 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 N--CA 1.43 -1.462 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -139.04 129.64 25.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -139.06 160.73 39.09 Favored 'General case' 0 CA--C 1.478 -1.79 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.68 139.35 58.31 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.426 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 128.03 35.14 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 123.788 0.68 . . . . 0.0 109.658 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -74.79 -30.45 61.44 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.258 -172.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 p -113.43 7.88 17.71 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.416 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 47.7 t80 -98.06 106.42 18.71 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -110.13 130.57 55.52 Favored 'General case' 0 C--N 1.278 -2.502 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -175.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.83 179.11 22.17 Favored Glycine 0 N--CA 1.431 -1.664 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.561 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -66.73 151.78 81.89 Favored 'Trans proline' 0 C--O 1.247 0.934 0 C-N-CA 123.223 2.616 . . . . 0.0 112.662 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 34.7 t -121.03 145.07 48.17 Favored 'General case' 0 C--N 1.289 -2.034 0 C-N-CA 125.092 1.357 . . . . 0.0 108.614 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -124.62 -39.94 2.25 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 123.26 0.35 . . . . 0.0 110.896 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.2 p -114.04 129.41 56.61 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -175.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 34' ' ' ARG . 20.0 m -62.48 -33.96 75.89 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.096 176.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.95 -36.66 93.18 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.078 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 m -76.31 -33.99 59.05 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.454 0.645 . . . . 0.0 109.471 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.6 t -66.13 -46.68 76.67 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.086 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.13 -43.18 99.12 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.998 0.428 . . . . 0.0 110.548 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.4 -44.29 76.04 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.913 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -66.48 -56.58 10.24 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.458 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.32 -36.82 81.17 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -71.95 -55.53 7.3 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -82.8 -52.71 6.49 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 121.892 -0.505 . . . . 0.0 112.073 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -71.4 -40.39 70.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.794 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -107.69 -5.46 17.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -175.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 59.17 33.14 22.6 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.879 0.872 . . . . 0.0 113.015 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.71 -172.22 2.11 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.728 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -69.17 -62.88 1.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.928 0.394 . . . . 0.0 110.759 -172.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 m -152.54 -176.64 5.8 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.38 140.75 8.99 Favored Glycine 0 N--CA 1.421 -2.316 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.523 ' HA ' HG22 ' A' ' 17' ' ' THR . 73.8 mtm180 -134.03 145.41 49.41 Favored 'General case' 0 CA--C 1.472 -2.032 0 CA-C-O 122.135 0.969 . . . . 0.0 112.035 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.0 t -106.39 98.81 8.44 Favored 'General case' 0 C--N 1.274 -2.711 0 CA-C-N 114.267 -1.333 . . . . 0.0 109.153 -176.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.526 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 24.6 mtp180 -71.39 171.33 11.42 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.99 -176.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.7 -13.84 60.08 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.393 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.19 -7.2 34.28 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 125.644 1.578 . . . . 0.0 110.646 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 65.19 35.8 7.57 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 122.106 0.955 . . . . 0.0 108.564 -175.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -132.63 143.5 49.71 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.01 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.9 t -85.29 125.25 32.76 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.54 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.526 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 53.5 m95 -116.55 126.55 53.48 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 124.452 1.101 . . . . 0.0 108.709 178.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.3 m -97.87 133.52 42.25 Favored 'General case' 0 C--N 1.284 -2.245 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 m -90.67 140.87 29.36 Favored 'General case' 0 N--CA 1.414 -2.248 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -147.66 143.06 27.38 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.008 0.432 . . . . 0.0 111.416 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -72.27 130.59 41.14 Favored 'General case' 0 N--CA 1.411 -2.384 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.286 -2.181 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.362 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.7 m . . . . . 0 N--CA 1.411 -2.389 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.6 tt0 -146.39 134.89 22.04 Favored 'General case' 0 N--CA 1.41 -2.456 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -173.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -142.74 167.15 22.76 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.56 144.61 54.51 Favored 'General case' 0 N--CA 1.401 -2.888 0 C-N-CA 123.289 0.635 . . . . 0.0 111.829 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 115.71 8.82 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -75.64 -22.52 56.71 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -171.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.453 HG21 ' CE1' ' A' ' 23' ' ' HIS . 10.1 t -111.95 14.64 20.89 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 119.579 -0.848 . . . . 0.0 111.967 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -98.9 102.08 13.68 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -103.58 127.99 50.9 Favored 'General case' 0 C--N 1.278 -2.503 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.7 153.84 8.55 Favored Glycine 0 N--CA 1.422 -2.271 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -61.56 131.24 34.9 Favored 'Trans proline' 0 C--O 1.241 0.67 0 C-N-CA 122.541 2.161 . . . . 0.0 109.966 174.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.4 t -102.66 151.77 21.98 Favored 'General case' 0 C--N 1.286 -2.195 0 C-N-CA 123.751 0.82 . . . . 0.0 109.341 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -132.5 -38.22 1.04 Allowed 'General case' 0 C--N 1.315 -0.899 0 O-C-N 123.514 0.509 . . . . 0.0 112.087 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.2 m -112.3 138.0 49.64 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 121.745 0.783 . . . . 0.0 113.109 -173.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 34' ' ' ARG . 39.1 m -64.53 -44.88 89.43 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 123.809 0.843 . . . . 0.0 112.236 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.33 -37.22 93.68 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.531 -0.366 . . . . 0.0 113.516 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 p -72.98 -32.13 64.99 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.385 0.612 . . . . 0.0 110.085 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -69.21 -48.13 62.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.978 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.98 -48.21 78.93 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 124.396 1.078 . . . . 0.0 111.116 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.88 -47.01 60.65 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.154 0.982 . . . . 0.0 110.509 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.453 ' CE1' HG21 ' A' ' 9' ' ' THR . 59.0 t60 -65.95 -47.88 73.19 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.329 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.8 m -64.99 -32.34 74.01 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -78.66 -56.62 4.28 Favored 'General case' 0 N--CA 1.42 -1.97 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -71.92 -42.3 66.87 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -174.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -96.77 -48.04 5.63 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.012 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -93.61 -4.65 50.41 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.424 -0.911 . . . . 0.0 112.753 -173.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.7 m80 55.11 34.43 22.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.805 1.242 . . . . 0.0 113.85 172.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 HD11 ' CB ' ' A' ' 43' ' ' CYS . 78.9 mt -101.42 -174.3 2.57 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -69.35 -56.51 7.28 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.052 0.454 . . . . 0.0 112.186 -170.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 m -151.63 178.8 8.97 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.22 152.19 23.49 Favored Glycine 0 N--CA 1.417 -2.575 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HA ' HG22 ' A' ' 17' ' ' THR . 64.1 mtm180 -136.93 145.34 44.14 Favored 'General case' 0 CA--C 1.447 -2.984 0 CA-C-O 122.146 0.974 . . . . 0.0 111.737 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 t -104.34 92.5 4.36 Favored 'General case' 0 C--N 1.255 -3.503 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 59.8 mtp180 -82.15 178.02 8.49 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 114.524 -1.216 . . . . 0.0 112.637 -171.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -70.89 11.31 0.4 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.184 0.993 . . . . 0.0 113.264 -173.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.43 -7.17 48.34 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 66.44 30.12 8.88 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 122.451 1.12 . . . . 0.0 108.743 -173.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -130.71 151.61 50.97 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.26 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.0 t -85.67 127.36 34.47 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.418 -1.264 . . . . 0.0 108.839 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.491 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 61.6 m95 -115.65 136.3 53.2 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.409 ' CB ' HD11 ' A' ' 30' ' ' LEU . 63.1 m -108.87 140.15 42.72 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.1 t -121.44 152.36 39.17 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.479 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -143.51 142.43 31.14 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.54 142.04 58.56 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.427 -1.588 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 178.411 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.9 m . . . . . 0 N--CA 1.444 -0.76 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -130.03 136.04 48.95 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.612 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -141.32 155.44 45.96 Favored 'General case' 0 CA--C 1.482 -1.67 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.789 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.24 140.48 44.57 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 124.067 0.947 . . . . 0.0 111.405 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.429 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -78.85 93.26 4.98 Favored 'General case' 0 N--CA 1.413 -2.286 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.27 -13.61 61.95 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.576 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -97.06 4.66 51.27 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-O 122.596 1.188 . . . . 0.0 109.127 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -111.49 112.96 25.06 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -122.56 131.17 53.71 Favored 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.03 160.87 10.08 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.42 119.54 6.56 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.365 2.043 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.79 122.54 24.21 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -97.27 -41.7 8.15 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.854 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.6 p -135.52 154.27 51.45 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 120.793 0.33 . . . . 0.0 111.489 -176.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.4 m -61.77 -31.34 71.53 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.202 173.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.08 -31.61 81.39 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.745 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 t -76.0 -26.49 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.014 0.912 . . . . 0.0 108.818 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -84.87 -50.76 7.26 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.79 -177.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.74 -45.69 81.81 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 123.725 0.81 . . . . 0.0 111.577 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.21 -48.13 81.31 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.06 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -59.19 -49.15 78.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.594 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.5 m -63.69 -31.07 72.12 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -84.13 -53.08 5.77 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -64.72 -50.52 66.61 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.969 0.908 . . . . 0.0 111.662 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -96.38 -51.33 4.41 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -174.307 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -88.28 -12.71 42.79 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 119.225 -0.99 . . . . 0.0 112.817 -171.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.1 m80 59.44 36.88 23.24 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.566 1.146 . . . . 0.0 112.72 175.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -102.15 -170.64 1.84 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.48 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -63.46 -62.37 1.72 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.577 0.703 . . . . 0.0 111.79 -172.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 m -157.91 -176.41 5.91 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 -177.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.11 139.05 7.87 Favored Glycine 0 N--CA 1.421 -2.331 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -127.53 145.99 50.67 Favored 'General case' 0 CA--C 1.465 -2.3 0 CA-C-O 122.165 0.983 . . . . 0.0 112.057 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.6 t -92.73 121.38 34.07 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 113.622 -1.627 . . . . 0.0 107.413 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 34.6 mtp180 -116.83 174.45 6.08 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.729 -0.789 . . . . 0.0 112.858 -175.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -66.79 1.23 1.93 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.853 1.261 . . . . 0.0 114.403 -173.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.04 -5.34 59.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 69.49 20.71 7.08 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 124.44 1.096 . . . . 0.0 108.705 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -121.5 160.56 23.98 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.479 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -84.05 139.3 32.59 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.894 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.455 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 47.1 m95 -125.08 120.75 32.33 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 123.849 0.859 . . . . 0.0 108.98 177.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 81.6 m -91.9 132.31 36.58 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 m -94.95 138.15 33.08 Favored 'General case' 0 N--CA 1.402 -2.856 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -133.31 140.19 47.29 Favored 'General case' 0 C--N 1.282 -2.337 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.91 126.61 30.18 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.272 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.285 -2.232 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.4 m . . . . . 0 N--CA 1.411 -2.395 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.42 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.3 tt0 -126.21 131.8 51.89 Favored 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -137.91 161.72 35.91 Favored 'General case' 0 CA--C 1.471 -2.059 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.54 144.32 53.15 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.553 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 120.91 14.47 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -74.91 -31.11 61.47 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.253 -172.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 p -100.66 11.71 38.95 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.518 0.675 . . . . 0.0 112.177 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -110.19 108.55 18.72 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -121.17 98.79 6.15 Favored 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.739 -173.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.5 -179.0 24.74 Favored Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.24 139.13 20.87 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.414 2.076 . . . . 0.0 111.675 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 t -110.72 139.39 46.05 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.084 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -136.13 9.67 3.26 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.323 0.389 . . . . 0.0 110.761 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.7 m -146.22 118.39 8.33 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.081 0.467 . . . . 0.0 111.217 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.621 ' OG1' ' HA ' ' A' ' 34' ' ' ARG . 5.5 t -74.51 -26.11 59.78 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -175.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.5 -34.68 85.07 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.8 t -77.25 -28.73 53.67 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.79 -47.25 60.51 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.7 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.48 -49.41 77.43 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -47.11 -50.45 20.11 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 124.24 0.963 . . . . 0.0 110.36 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -62.43 -51.76 66.25 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.733 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.6 m -66.6 -28.16 68.28 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -77.15 -66.52 0.82 Allowed 'General case' 0 N--CA 1.427 -1.609 0 CA-C-O 121.169 0.509 . . . . 0.0 110.534 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -67.15 -45.74 76.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.204 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -91.21 -42.15 10.59 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -105.1 -3.61 22.89 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -172.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 56.73 35.12 25.73 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.797 1.239 . . . . 0.0 112.956 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -102.72 -176.9 3.23 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.552 -0.718 . . . . 0.0 111.908 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 17.1 ttp180 -60.73 -57.15 13.89 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 123.928 0.767 . . . . 0.0 111.757 -171.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 m -158.92 178.05 10.5 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.75 140.79 11.04 Favored Glycine 0 C--N 1.282 -2.451 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.621 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 74.8 mtm180 -132.93 141.86 48.58 Favored 'General case' 0 CA--C 1.461 -2.46 0 CA-C-O 122.378 1.085 . . . . 0.0 111.748 178.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 27.0 t -100.22 105.07 16.61 Favored 'General case' 0 C--N 1.254 -3.548 0 CA-C-N 113.465 -1.698 . . . . 0.0 107.237 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.676 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 57.0 mtp180 -84.46 163.53 19.39 Favored 'General case' 0 C--N 1.286 -2.189 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.523 -176.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -75.87 12.44 1.09 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.798 1.285 . . . . 0.0 110.369 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 36' ' ' ARG . 35.0 t70 -78.31 -9.85 59.42 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 113.068 -1.878 . . . . 0.0 107.535 170.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 72.84 20.34 3.63 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 125.823 1.649 . . . . 0.0 111.859 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -131.57 159.89 36.89 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.58 121.74 31.29 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.089 -0.96 . . . . 0.0 108.667 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.676 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 63.1 m95 -114.21 119.01 35.59 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.243 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.19 134.26 34.1 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -110.84 152.22 26.93 Favored 'General case' 0 N--CA 1.412 -2.35 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -175.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 16.4 ptt180 -152.25 152.69 32.51 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -81.94 139.34 34.66 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.294 -1.828 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.162 179.756 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.6 m . . . . . 0 N--CA 1.415 -2.207 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -133.15 144.81 50.13 Favored 'General case' 0 C--N 1.292 -1.908 0 C-N-CA 119.541 -0.863 . . . . 0.0 109.043 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -159.28 168.44 26.45 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.61 146.46 53.84 Favored 'General case' 0 N--CA 1.403 -2.785 0 C-N-CA 123.744 0.818 . . . . 0.0 111.772 -176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 136.75 58.02 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.793 175.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -76.38 -41.17 48.94 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.31 0.576 . . . . 0.0 111.304 -173.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 p -105.72 12.6 30.8 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -99.33 104.74 16.66 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -98.42 131.68 44.49 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.158 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.43 -177.08 31.9 Favored Glycine 0 C--O 1.25 1.133 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.63 174.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -72.41 146.06 44.1 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.99 2.46 . . . . 0.0 111.906 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.1 t -104.25 142.23 34.89 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.523 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -126.91 -3.4 6.47 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.158 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.2 m -152.73 125.9 8.59 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 121.891 -0.506 . . . . 0.0 112.061 -173.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 34' ' ' ARG . 21.3 m -63.8 -33.22 75.18 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.54 0.736 . . . . 0.0 110.862 176.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.57 -21.74 65.15 Favored Glycine 0 C--O 1.225 -0.461 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.094 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 t -86.02 -42.54 13.89 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.22 -50.09 62.04 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.966 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 14.4 t70 -58.38 -47.12 84.87 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.914 0.388 . . . . 0.0 110.603 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.17 -46.94 72.46 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.34 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -67.42 -51.49 51.06 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.652 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.1 m -64.63 -32.74 74.54 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 5.7 mmtp -81.21 -57.68 3.4 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -81.85 -34.69 29.98 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 1.3 tmtp? -91.35 -52.33 4.85 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.633 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -90.75 -8.99 48.27 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -173.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.498 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 83.5 m-70 60.36 32.36 20.64 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.59 1.156 . . . . 0.0 114.026 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -95.91 -168.03 1.69 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.496 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 56.2 ttt180 -65.7 -61.25 2.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.027 0.441 . . . . 0.0 111.877 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.3 m -160.03 -176.32 5.6 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.5 141.21 9.09 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HA ' HG22 ' A' ' 17' ' ' THR . 79.8 mtm180 -131.72 146.85 52.39 Favored 'General case' 0 CA--C 1.463 -2.394 0 CA-C-O 122.289 1.042 . . . . 0.0 112.611 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -99.31 107.66 19.99 Favored 'General case' 0 C--N 1.271 -2.82 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -101.87 -177.49 3.43 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.02 -21.04 64.56 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.197 1.399 . . . . 0.0 112.067 -177.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.03 -7.83 53.01 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.097 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 65.43 26.71 11.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.053 1.341 . . . . 0.0 111.717 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -126.03 159.19 33.4 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.763 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.02 119.11 25.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.086 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -110.19 120.16 41.57 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.5 m -92.39 133.02 36.28 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.9 m -89.65 136.59 32.95 Favored 'General case' 0 N--CA 1.409 -2.48 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -134.21 136.25 43.56 Favored 'General case' 0 C--N 1.287 -2.11 0 CA-C-O 121.34 0.591 . . . . 0.0 110.108 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.496 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 92.1 m-20 -74.39 135.22 42.41 Favored 'General case' 0 N--CA 1.405 -2.698 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.118 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.284 -2.259 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.52 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.555 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 18.3 ptpt . . . . . 0 CA--C 1.491 -1.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.4 p -113.0 135.39 53.83 Favored 'General case' 0 N--CA 1.414 -2.228 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.128 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.0 m -117.47 145.11 44.39 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -138.42 133.05 32.32 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.52 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -145.05 165.56 27.88 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.97 145.69 55.59 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 123.688 0.795 . . . . 0.0 112.389 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.18 126.65 30.21 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -75.06 -45.38 41.91 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.024 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -95.91 17.11 15.98 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -103.88 98.86 8.64 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -102.22 108.59 20.01 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.816 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.47 172.51 12.56 Favored Glycine 0 N--CA 1.432 -1.579 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -75.2 154.15 41.36 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.187 1.925 . . . . 0.0 111.327 176.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.6 t -107.65 141.62 38.86 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.48 -19.84 5.75 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.995 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -144.29 138.54 28.0 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.82 -0.55 . . . . 0.0 110.664 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 m -61.07 -37.48 82.82 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.3 -30.04 60.88 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 121.475 -0.393 . . . . 0.0 113.029 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -75.8 -43.73 44.79 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.4 -46.4 70.1 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.814 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.488 ' CG ' ' HZ2' ' A' ' 25' ' ' LYS . 20.9 t70 -63.08 -39.87 96.0 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.83 -176.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.515 ' O ' ' HB3' ' A' ' 26' ' ' ASN . 21.8 t70 -63.34 -42.64 98.96 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -58.97 -49.61 77.23 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.981 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.9 m -69.32 -36.86 77.4 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 49.0 mttp -77.78 -58.56 3.2 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.385 0.612 . . . . 0.0 112.003 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.515 ' HB3' ' O ' ' A' ' 22' ' ' ASP . 12.8 t30 -72.48 -44.54 62.13 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 124.375 1.07 . . . . 0.0 112.748 -173.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -93.39 -48.04 6.6 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.517 -0.873 . . . . 0.0 112.276 -177.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -93.65 -7.08 44.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.489 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 85.6 m-70 53.66 45.74 27.39 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -110.11 -171.89 1.93 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.423 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -65.29 -66.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.926 0.87 . . . . 0.0 111.55 -172.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -144.41 177.02 8.94 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.15 135.8 6.22 Favored Glycine 0 N--CA 1.411 -2.981 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -128.02 144.48 51.11 Favored 'General case' 0 CA--C 1.457 -2.603 0 CA-C-O 122.442 1.115 . . . . 0.0 112.82 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.8 t -97.3 104.33 16.34 Favored 'General case' 0 C--N 1.271 -2.809 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -94.68 178.6 5.53 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 119.467 -0.893 . . . . 0.0 112.954 -171.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.23 -26.4 66.38 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.575 1.15 . . . . 0.0 112.064 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.59 4.37 18.76 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.073 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 69.41 10.01 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 173.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -111.76 165.35 12.13 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.865 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.6 124.05 33.67 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.425 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -116.54 127.64 54.71 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -95.23 132.6 40.02 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.3 m -94.3 139.49 31.0 Favored 'General case' 0 N--CA 1.407 -2.591 0 N-CA-C 105.701 -1.963 . . . . 0.0 105.701 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -138.46 144.68 40.2 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 117.977 0.353 . . . . 0.0 110.097 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -72.72 133.91 44.78 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.6 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.555 ' SG ' ' HG3' ' A' ' 1' ' ' LYS . 5.7 p . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt . . . . . 0 CA--C 1.503 -0.849 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.5 p -122.01 130.83 53.62 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-O 121.434 0.635 . . . . 0.0 111.482 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 89.3 m -124.15 134.58 53.3 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.421 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 31.2 tt0 -127.32 141.12 51.78 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.444 -171.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -145.32 159.4 43.09 Favored 'General case' 0 CA--C 1.481 -1.702 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.51 140.49 58.88 Favored 'General case' 0 N--CA 1.414 -2.269 0 C-N-CA 123.572 0.749 . . . . 0.0 110.143 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 136.31 58.04 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -82.19 -38.34 24.75 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.795 -173.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.0 p -107.81 8.44 28.75 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -175.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -106.06 126.2 51.91 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -141.04 129.55 22.6 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.94 175.74 14.35 Favored Glycine 0 N--CA 1.427 -1.945 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.11 108.75 1.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.06 2.507 . . . . 0.0 111.778 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 t -84.85 135.61 34.01 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.079 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -121.5 -33.99 3.53 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.965 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.9 m -115.92 124.98 51.94 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 121.527 0.68 . . . . 0.0 112.385 -173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 34' ' ' ARG . 18.0 m -59.62 -38.48 81.43 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.416 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.66 -36.53 79.03 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.739 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -70.65 -44.1 67.79 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.35 0.595 . . . . 0.0 109.413 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.75 -47.64 84.29 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.331 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.452 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 12.9 t70 -55.99 -52.85 62.72 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.615 1.166 . . . . 0.0 112.175 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.79 -43.05 94.61 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.617 0.573 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -59.73 -50.73 72.71 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.23 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.5 m -64.24 -37.03 86.02 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.666 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.85 -49.32 30.9 Favored 'General case' 0 N--CA 1.425 -1.709 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -81.14 -50.72 9.27 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -173.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -92.16 -35.86 13.62 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.586 -0.846 . . . . 0.0 111.531 -173.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -96.21 -7.75 34.84 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 119.617 -0.833 . . . . 0.0 112.683 -177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 47.45 53.5 10.93 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.861 1.264 . . . . 0.0 111.754 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.8 mt -116.11 -170.07 1.73 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.503 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -65.05 -68.31 0.37 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.355 0.598 . . . . 0.0 111.115 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 m -155.91 -178.45 7.31 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' HA ' ' A' ' 21' ' ' ASP . . . -141.1 145.06 15.43 Favored Glycine 0 N--CA 1.418 -2.535 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.502 ' HA ' HG22 ' A' ' 17' ' ' THR . 63.3 mtm180 -133.12 143.92 49.59 Favored 'General case' 0 CA--C 1.456 -2.649 0 CA-C-O 122.164 0.983 . . . . 0.0 112.244 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.0 t -99.95 110.81 23.14 Favored 'General case' 0 C--N 1.267 -2.985 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.155 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.573 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.6 mtp180 -99.26 178.87 4.77 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.882 -175.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.99 5.73 4.0 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -80.35 -13.86 58.82 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 69.38 27.82 4.91 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -170.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -124.71 149.74 46.91 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.007 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.8 t -83.86 126.21 32.74 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.546 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 65.4 m95 -113.65 122.62 47.73 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.97 129.9 43.1 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 t -101.25 152.02 21.18 Favored 'General case' 0 N--CA 1.406 -2.67 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 3' ' ' CYS . 13.8 ptp180 -136.52 150.71 48.8 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -80.48 120.88 25.05 Favored 'General case' 0 N--CA 1.396 -3.172 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 175.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.265 -3.066 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.349 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm . . . . . 0 CA--C 1.496 -1.098 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 p -123.57 128.54 49.86 Favored 'General case' 0 N--CA 1.415 -2.2 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.6 m -112.78 129.66 56.35 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.9 tt0 -121.25 134.64 55.18 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -174.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -143.49 159.11 43.02 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.34 139.38 58.19 Favored 'General case' 0 N--CA 1.419 -1.991 0 C-N-CA 123.995 0.918 . . . . 0.0 111.348 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.15 123.6 18.59 Favored 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 123.497 0.498 . . . . 0.0 110.183 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -64.86 -41.23 95.85 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.456 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 p -108.37 13.09 25.84 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -100.38 98.64 9.26 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -104.9 123.49 47.82 Favored 'General case' 0 C--N 1.273 -2.737 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.74 179.3 15.97 Favored Glycine 0 C--O 1.259 1.686 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -82.17 145.98 13.99 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 123.128 2.552 . . . . 0.0 111.918 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.4 t -108.56 138.22 45.23 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.001 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -126.55 -4.98 6.51 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.429 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.2 m -148.0 123.5 10.39 Favored 'General case' 0 CA--C 1.558 1.258 0 O-C-N 121.452 -0.78 . . . . 0.0 112.416 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 34' ' ' ARG . 45.5 m -58.25 -36.59 73.45 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.268 0.627 . . . . 0.0 111.678 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.76 -23.93 63.82 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.749 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.9 m -87.1 -36.6 18.02 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -69.7 -45.06 69.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.38 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.415 ' CG ' ' HZ2' ' A' ' 25' ' ' LYS . 22.7 t70 -59.79 -41.19 90.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.039 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.31 -49.92 70.92 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.537 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -61.34 -50.72 71.8 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.298 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.6 m -66.08 -36.45 83.22 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.003 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HZ2' ' CG ' ' A' ' 21' ' ' ASP . 46.8 mttp -77.39 -57.72 3.67 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 177.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -73.35 -41.35 63.56 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -171.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 -44.63 6.93 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 118.909 -1.116 . . . . 0.0 111.176 -175.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -93.63 -7.44 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 40.4 t-80 49.89 51.84 15.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.949 1.299 . . . . 0.0 112.412 179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.2 mt -111.69 -173.87 2.34 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.654 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -65.7 -64.04 0.95 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.549 0.69 . . . . 0.0 111.233 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 m -148.46 178.49 8.56 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.41 136.68 6.39 Favored Glycine 0 N--CA 1.421 -2.363 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HA ' HG23 ' A' ' 17' ' ' THR . 65.1 mtm180 -124.05 146.21 48.72 Favored 'General case' 0 CA--C 1.458 -2.573 0 CA-C-O 122.333 1.063 . . . . 0.0 112.73 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.8 t -103.73 106.12 16.54 Favored 'General case' 0 C--N 1.27 -2.851 0 CA-C-N 113.094 -1.866 . . . . 0.0 106.301 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.536 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.3 mtp180 -97.09 176.94 5.76 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.082 -171.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.37 -12.62 57.86 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.79 0.836 . . . . 0.0 113.166 -173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.489 ' OD2' ' HB2' ' A' ' 40' ' ' ARG . 4.2 p-10 -87.92 4.38 45.0 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.051 177.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 64.16 26.22 13.82 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 112.0 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 24.3 mmm180 -120.15 154.76 34.29 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.044 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -89.34 125.44 35.13 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.634 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.536 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 66.2 m95 -115.7 122.09 44.47 Favored 'General case' 0 C--N 1.286 -2.165 0 C-N-CA 123.992 0.917 . . . . 0.0 109.073 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -96.65 134.57 39.74 Favored 'General case' 0 C--N 1.285 -2.231 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.5 t -113.95 146.48 40.04 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -143.73 151.43 40.01 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -69.36 127.71 33.99 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--N 1.29 -2.018 0 CA-C-O 119.036 -0.507 . . . . 0.0 110.182 -178.237 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.501 -0.925 0 N-CA-C 111.272 0.101 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.257 36.0 p 61.73 117.51 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.298 1.439 . . . . 0.0 113.064 -175.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.2 m -108.43 156.77 19.08 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.435 -173.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 32.2 tt0 -146.87 132.3 18.62 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -145.56 157.12 44.03 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.7 mt -54.23 140.41 32.84 Favored 'General case' 0 N--CA 1.42 -1.959 0 C-N-CA 124.74 1.216 . . . . 0.0 111.813 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.59 129.56 41.67 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.307 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -62.71 -44.92 94.99 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 123.331 0.652 . . . . 0.0 111.558 -174.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 p -106.8 18.85 21.3 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -174.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.527 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 42.6 t80 -100.43 89.6 4.01 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 119.694 -0.802 . . . . 0.0 108.848 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -96.74 94.66 7.42 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.104 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.2 175.16 22.05 Favored Glycine 0 N--CA 1.43 -1.733 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -69.69 147.35 63.1 Favored 'Trans proline' 0 C--O 1.252 1.188 0 C-N-CA 122.895 2.397 . . . . 0.0 111.743 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 47.0 t -88.38 141.13 28.79 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.937 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -92.17 -70.17 0.71 Allowed 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.174 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 p -142.58 170.03 16.46 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.698 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 33' ' ' GLY . 23.7 m -61.69 -32.22 72.41 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.188 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.05 -36.26 92.04 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.711 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.9 p -83.18 -33.09 26.26 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 117.291 0.546 . . . . 0.0 110.308 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.83 -47.51 65.84 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.044 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' CG ' ' HZ1' ' A' ' 25' ' ' LYS . 18.6 t70 -62.97 -39.81 95.82 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.007 0.523 . . . . 0.0 110.131 -178.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -51.82 -47.62 64.24 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.256 175.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -68.54 -49.52 58.92 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.768 -1.106 . . . . 0.0 111.32 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.9 m -65.84 -31.64 72.71 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HZ1' ' CG ' ' A' ' 21' ' ' ASP . 46.8 mttp -81.22 -62.88 1.53 Allowed 'General case' 0 N--CA 1.423 -1.807 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -67.93 -44.89 75.82 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -172.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -88.72 -47.06 8.51 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.392 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.9 -9.0 29.4 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -171.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.4 m80 56.25 38.47 29.83 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.873 0.869 . . . . 0.0 112.589 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -102.81 -165.46 1.18 Allowed 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.976 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 44' ' ' THR . 6.3 tpm_? -69.79 -69.67 0.33 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.772 0.796 . . . . 0.0 111.232 -175.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -149.89 -178.84 6.7 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' HG23 ' A' ' 17' ' ' THR . . . -146.44 128.65 3.09 Favored Glycine 0 N--CA 1.414 -2.819 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 176.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -121.41 144.78 48.49 Favored 'General case' 0 CA--C 1.46 -2.512 0 CA-C-O 122.638 1.209 . . . . 0.0 112.828 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.2 t -97.93 110.25 22.86 Favored 'General case' 0 N--CA 1.399 -2.99 0 CA-C-N 112.991 -1.913 . . . . 0.0 107.674 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 30.7 mtp180 -96.12 169.45 9.95 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.78 -176.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -78.04 7.02 6.7 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 122.738 1.256 . . . . 0.0 110.117 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 36' ' ' ARG . 22.0 t70 -78.85 -17.82 55.02 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 112.74 -2.027 . . . . 0.0 108.209 172.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 69.78 17.23 7.72 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 125.547 1.539 . . . . 0.0 113.662 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -121.17 157.19 30.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 174.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.4 t -83.83 128.16 34.34 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 123.442 0.464 . . . . 0.0 110.082 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.519 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 47.1 m95 -116.61 116.74 28.14 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.708 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.5 m -87.68 130.71 34.71 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.423 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 24.0 m -84.96 145.74 27.59 Favored 'General case' 0 N--CA 1.406 -2.631 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -143.77 139.61 29.49 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 121.348 0.594 . . . . 0.0 110.429 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.22 133.83 47.44 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.509 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 C--N 1.297 -1.692 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.9 mttp . . . . . 0 CA--C 1.499 -1.002 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p -114.77 135.84 53.73 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-O 121.18 0.514 . . . . 0.0 111.537 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.1 m -131.87 147.95 52.51 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 33.8 tt0 -126.37 126.85 44.57 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 -178.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.67 156.95 45.11 Favored 'General case' 0 CA--C 1.484 -1.585 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.81 143.2 43.08 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 124.437 1.095 . . . . 0.0 112.664 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.28 133.83 48.39 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -84.9 -36.13 21.69 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -172.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.75 15.27 29.46 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.694 0.759 . . . . 0.0 110.535 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 25.1 t80 -93.93 108.59 20.37 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -98.17 123.59 42.3 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.292 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.8 -176.09 21.94 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.825 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.23 155.24 32.89 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 C-N-CA 122.68 2.253 . . . . 0.0 111.057 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 42.4 t -88.06 152.56 21.93 Favored 'General case' 0 N--CA 1.408 -2.527 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.837 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -113.97 -54.88 2.56 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.74 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -139.51 150.37 45.04 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.208 -176.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.443 HG22 ' HA ' ' A' ' 34' ' ' ARG . 42.8 m -55.54 -47.59 76.09 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.852 0.861 . . . . 0.0 112.579 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.47 -29.77 70.12 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.353 -0.451 . . . . 0.0 113.644 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 t -78.05 -39.15 42.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.07 -43.65 86.76 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.12 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.54 -46.32 89.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 123.792 0.837 . . . . 0.0 109.977 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -56.22 -51.93 66.3 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.161 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -57.06 -48.88 77.48 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.548 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -65.26 -41.67 94.04 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -76.0 -49.15 18.46 Favored 'General case' 0 N--CA 1.426 -1.638 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -75.03 -54.87 6.41 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-O 121.058 0.456 . . . . 0.0 111.967 -175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -86.4 -52.09 5.82 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -78.37 -18.43 55.11 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.609 0.718 . . . . 0.0 111.806 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.8 m80 67.18 31.21 6.83 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 114.172 -1.376 . . . . 0.0 111.492 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -98.96 -167.03 1.43 Allowed 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.879 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.532 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 13.2 ttp180 -82.56 -57.81 3.18 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.925 0.393 . . . . 0.0 111.663 -169.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.5 m -151.91 -179.25 7.31 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.64 144.07 11.22 Favored Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HA ' HG22 ' A' ' 17' ' ' THR . 54.5 mtm180 -132.4 154.19 50.06 Favored 'General case' 0 CA--C 1.464 -2.35 0 CA-C-O 122.626 1.203 . . . . 0.0 112.639 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 t -111.27 99.08 7.97 Favored 'General case' 0 C--N 1.268 -2.935 0 CA-C-N 113.127 -1.851 . . . . 0.0 107.28 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -89.02 -178.98 5.83 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.566 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.03 -23.85 65.73 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -80.12 0.37 32.42 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.983 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 63.54 26.68 14.82 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.129 0.972 . . . . 0.0 113.278 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -116.74 154.29 30.9 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -79.89 117.13 20.47 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.865 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.412 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 49.5 m95 -109.68 116.9 32.56 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.003 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.0 m -85.58 130.88 34.47 Favored 'General case' 0 C--N 1.277 -2.553 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -93.84 137.22 33.31 Favored 'General case' 0 N--CA 1.403 -2.794 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.532 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 8.3 ptm180 -143.92 159.65 42.19 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 119.262 -0.975 . . . . 0.0 113.207 -175.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -73.37 123.29 23.52 Favored 'General case' 0 N--CA 1.388 -3.53 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.254 -3.581 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -170.879 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 47' ' ' CYS . 6.7 mtpm? . . . . . 0 CA--C 1.507 -0.703 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.282 41.3 p 62.11 117.03 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 125.465 1.506 . . . . 0.0 114.121 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.9 m -111.11 152.71 26.65 Favored 'General case' 0 C--N 1.272 -2.797 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 26.8 tt0 -143.03 135.17 27.14 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.02 -176.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -140.32 168.65 19.32 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -71.41 146.35 48.76 Favored 'General case' 0 C--N 1.291 -1.96 0 C-N-CA 123.739 0.816 . . . . 0.0 111.713 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.6 139.68 45.7 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -92.74 -32.55 14.66 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.604 -173.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -102.38 3.41 37.85 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.642 0.734 . . . . 0.0 112.412 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -99.54 84.56 2.98 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -96.33 121.13 37.79 Favored 'General case' 0 C--N 1.275 -2.663 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.126 -175.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.88 -170.72 19.3 Favored Glycine 0 C--N 1.301 -1.399 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -173.11 1.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.529 2.153 . . . . 0.0 111.052 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.8 m -69.43 119.58 13.91 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.728 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.96 -56.51 3.52 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 169.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.66 141.97 14.9 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.182 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.433 HG23 ' HA ' ' A' ' 34' ' ' ARG . 63.3 m -57.28 -47.55 81.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.873 0.869 . . . . 0.0 110.646 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.99 -35.69 92.44 Favored Glycine 0 C--O 1.224 -0.477 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.718 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -78.23 -26.12 47.21 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.223 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.5 t -65.91 -43.82 87.05 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 28.8 t70 -61.2 -54.56 42.7 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.293 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.7 -40.91 80.56 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.106 0.479 . . . . 0.0 110.709 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -59.23 -53.45 58.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.83 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.69 -36.39 82.75 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.587 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -71.04 -55.88 7.32 Favored 'General case' 0 N--CA 1.421 -1.881 0 C-N-CA 122.87 0.468 . . . . 0.0 112.079 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -73.36 -59.58 2.65 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -81.16 -37.27 29.05 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-O 120.892 0.377 . . . . 0.0 111.822 -170.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -104.89 1.06 28.56 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 119.15 -1.02 . . . . 0.0 113.065 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 56.97 29.16 15.88 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.55 1.14 . . . . 0.0 112.626 171.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.0 mt -101.92 -170.33 1.8 Allowed 'General case' 0 C--N 1.31 -1.151 0 O-C-N 121.967 -0.458 . . . . 0.0 111.872 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -71.31 -63.75 1.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.351 0.66 . . . . 0.0 112.397 -173.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 m -149.45 -179.12 6.83 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' HA ' ' A' ' 21' ' ' ASP . . . -151.74 146.1 14.52 Favored Glycine 0 N--CA 1.422 -2.248 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 176.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HA ' HG23 ' A' ' 17' ' ' THR . 41.8 mtm180 -147.97 156.92 43.2 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.863 0.84 . . . . 0.0 112.219 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.9 t -90.61 130.54 36.62 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 113.907 -1.497 . . . . 0.0 107.035 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.63 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 56.0 mtp180 -115.32 172.62 6.97 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.377 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.24 -14.83 28.82 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -174.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' OD2' ' HB2' ' A' ' 40' ' ' ARG . 4.4 p-10 -89.37 7.85 33.68 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 123.096 0.558 . . . . 0.0 111.68 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 66.55 20.16 10.83 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.06 1.344 . . . . 0.0 112.754 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.416 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 21.8 mmm180 -115.75 155.3 28.05 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.234 0.54 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -86.9 121.55 29.53 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.632 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.63 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 55.5 m95 -110.83 128.27 55.71 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.2 m -98.27 130.46 44.97 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -88.46 149.59 23.59 Favored 'General case' 0 N--CA 1.407 -2.602 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -140.1 142.59 36.07 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -71.9 138.54 48.23 Favored 'General case' 0 N--CA 1.414 -2.242 0 CA-C-O 121.512 0.672 . . . . 0.0 112.082 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 1' ' ' LYS . 28.6 p . . . . . 0 C--N 1.286 -2.153 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 CA--C 1.504 -0.826 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.296 38.7 p 63.34 116.49 0.02 OUTLIER 'General case' 0 C--O 1.245 0.86 0 C-N-CA 125.612 1.565 . . . . 0.0 115.156 176.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m -100.03 140.3 34.46 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-N 113.577 -1.647 . . . . 0.0 108.145 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -145.42 131.8 19.63 Favored 'General case' 0 N--CA 1.416 -2.133 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -147.82 164.64 33.02 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.54 145.22 43.63 Favored 'General case' 0 N--CA 1.383 -3.82 0 C-N-CA 122.633 0.373 . . . . 0.0 110.194 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.53 118.91 10.81 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.407 ' ND2' HG22 ' A' ' 9' ' ' THR . 3.3 p-10 -75.8 -23.48 55.86 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.347 -172.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.407 HG22 ' ND2' ' A' ' 8' ' ' ASN . 2.7 p -106.31 5.8 29.99 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 54.4 t80 -94.18 103.94 15.97 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 174.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -105.01 111.83 24.75 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.748 -171.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.45 -166.11 15.99 Favored Glycine 0 N--CA 1.432 -1.628 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.919 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -81.13 147.42 16.42 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 123.317 2.678 . . . . 0.0 112.24 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 51.7 t -83.13 128.55 34.59 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.114 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -106.47 -31.58 8.48 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.2 m -152.52 136.63 16.49 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 121.738 -0.601 . . . . 0.0 111.444 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 34' ' ' ARG . 26.3 m -58.25 -44.81 88.5 Favored 'General case' 0 C--O 1.208 -1.097 0 C-N-CA 124.096 0.958 . . . . 0.0 111.001 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.83 -30.3 69.22 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.877 -0.201 . . . . 0.0 112.847 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -78.56 -42.91 27.93 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -59.6 -50.53 73.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.344 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 17.8 t70 -54.65 -49.35 70.77 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 124.415 1.086 . . . . 0.0 110.446 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.2 -46.27 83.02 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 123.676 0.61 . . . . 0.0 111.003 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -60.65 -47.35 86.63 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.701 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -65.46 -34.99 79.57 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.294 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 70.8 mmtt -66.66 -68.84 0.34 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.754 0.788 . . . . 0.0 110.973 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.27 -47.17 45.18 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.738 -1.119 . . . . 0.0 113.267 -171.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -85.75 -49.2 8.13 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.226 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -94.57 -0.71 54.32 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 119.362 -0.935 . . . . 0.0 113.169 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 56.08 36.37 27.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.176 0.99 . . . . 0.0 113.088 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -107.57 -172.8 2.14 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.779 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 2.1 tmt_? -73.73 -57.93 3.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.678 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 m -153.56 -178.29 6.91 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.9 140.29 7.95 Favored Glycine 0 N--CA 1.426 -1.988 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' HA ' HG22 ' A' ' 17' ' ' THR . 77.0 mtm180 -130.91 149.18 52.66 Favored 'General case' 0 CA--C 1.457 -2.608 0 CA-C-O 122.538 1.161 . . . . 0.0 113.031 -178.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 t -94.19 96.82 9.85 Favored 'General case' 0 N--CA 1.401 -2.876 0 CA-C-N 112.848 -1.978 . . . . 0.0 107.483 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.516 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 57.5 mtp180 -87.18 161.03 18.29 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.731 -176.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -75.32 76.14 2.42 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.187 0.994 . . . . 0.0 108.906 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -163.14 9.17 0.05 Allowed 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 113.361 -1.745 . . . . 0.0 108.28 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 56.21 19.01 3.59 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 124.268 1.027 . . . . 0.0 112.93 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -125.48 145.81 49.92 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 121.698 0.761 . . . . 0.0 112.208 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.5 t -82.8 121.72 27.27 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 113.762 -1.563 . . . . 0.0 108.405 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.516 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 54.3 m95 -113.42 115.96 28.89 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.22 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.0 m -82.78 136.49 34.66 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 t -125.02 148.65 48.38 Favored 'General case' 0 N--CA 1.407 -2.62 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 12.9 ptm180 -149.44 160.08 43.75 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -76.97 143.86 39.15 Favored 'General case' 0 N--CA 1.391 -3.378 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.294 -1.807 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 177.036 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt . . . . . 0 CA--C 1.506 -0.734 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 p -126.13 127.97 46.59 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 171.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.4 m -115.11 125.5 53.56 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.714 -174.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 39.6 tt0 -102.69 113.05 26.12 Favored 'General case' 0 C--N 1.283 -2.307 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -137.39 152.74 49.99 Favored 'General case' 0 CA--C 1.47 -2.109 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.2 mt -52.2 139.93 22.52 Favored 'General case' 0 N--CA 1.424 -1.773 0 O-C-N 124.802 1.314 . . . . 0.0 112.062 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.55 148.28 20.02 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.294 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -85.97 -36.99 19.48 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.892 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 m -116.86 22.93 12.29 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.748 0.785 . . . . 0.0 111.089 -173.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -104.22 127.62 51.86 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -143.22 110.59 5.77 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.45 -177.71 21.47 Favored Glycine 0 C--N 1.292 -1.91 0 N-CA-C 108.926 -1.67 . . . . 0.0 108.926 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -85.93 154.49 9.94 Favored 'Trans proline' 0 N--CA 1.435 -1.918 0 CA-C-N 119.392 1.596 . . . . 0.0 111.474 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 t -112.44 160.51 17.69 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.88 -61.0 0.68 Allowed 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.51 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 24.6 m -97.83 132.88 43.04 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.018 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' HA ' ' A' ' 34' ' ' ARG . 86.5 m -56.2 -41.93 76.36 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.663 0.785 . . . . 0.0 112.005 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.02 -21.38 65.69 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.179 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.51 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 12.4 m -73.46 -35.55 65.75 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -178.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -71.12 -39.46 72.02 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.001 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 23.8 t70 -62.23 -42.06 98.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.451 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -54.64 -50.66 67.6 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.821 173.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -60.35 -51.73 68.27 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.953 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.9 m -65.9 -35.5 80.79 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.841 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 8.1 mmtp -82.36 -52.86 6.51 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -78.09 -39.61 40.94 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -175.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -91.35 -50.02 6.04 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.794 -0.762 . . . . 0.0 111.957 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.21 -9.55 41.84 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.422 -174.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 14.4 t-80 58.07 37.59 26.5 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.64 1.176 . . . . 0.0 110.957 175.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.6 mt -98.36 -170.84 2.02 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.245 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -69.98 -57.22 5.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.031 0.443 . . . . 0.0 111.995 -171.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.0 m -160.23 -179.08 7.43 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.94 147.51 18.03 Favored Glycine 0 N--CA 1.427 -1.939 0 O-C-N 123.833 0.708 . . . . 0.0 111.388 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HA ' HG22 ' A' ' 17' ' ' THR . 54.6 mtm180 -137.08 160.22 39.6 Favored 'General case' 0 CA--C 1.473 -2.003 0 CA-C-O 121.84 0.829 . . . . 0.0 111.593 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 14.0 t -108.37 108.59 19.62 Favored 'General case' 0 C--N 1.268 -2.945 0 CA-C-N 114.254 -1.339 . . . . 0.0 108.154 -177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.684 ' HB2' ' CD1' ' A' ' 42' ' ' TRP . 44.5 mtp180 -120.6 178.45 4.68 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 62.77 12.28 5.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.798 0.839 . . . . 0.0 112.138 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.1 t70 77.27 -3.83 2.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.26 1.824 . . . . 0.0 111.601 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -171.76 15.08 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -118.4 142.75 47.23 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 119.5 1.045 . . . . 0.0 111.523 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.2 t -91.83 120.08 32.21 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.18 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.684 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 52.4 m95 -111.84 116.87 31.39 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.796 179.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -96.19 129.56 43.47 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 8.6 m -90.89 136.36 33.12 Favored 'General case' 0 N--CA 1.405 -2.724 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -141.0 142.99 34.19 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -69.38 123.41 21.15 Favored 'General case' 0 N--CA 1.411 -2.376 0 CA-C-O 121.327 0.584 . . . . 0.0 109.595 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.279 -2.492 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.075 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.9 pttp . . . . . 0 CA--C 1.489 -1.381 0 CA-C-O 120.888 0.375 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.6 p 47.7 112.36 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 126.17 1.788 . . . . 0.0 114.302 -173.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.0 m -116.58 128.4 55.37 Favored 'General case' 0 C--N 1.259 -3.366 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -131.74 126.2 33.87 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -138.86 165.82 26.05 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.85 142.43 58.44 Favored 'General case' 0 N--CA 1.403 -2.805 0 O-C-N 123.826 0.704 . . . . 0.0 111.84 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.72 121.68 14.55 Favored 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -75.04 -23.56 58.15 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.967 -174.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 p -106.35 15.27 26.3 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.786 -0.766 . . . . 0.0 112.461 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.537 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 45.6 t80 -124.26 120.02 31.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -119.32 173.11 7.15 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.18 -165.71 52.18 Favored Glycine 0 N--CA 1.434 -1.474 0 O-C-N 123.495 0.497 . . . . 0.0 112.409 177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -74.19 145.87 35.47 Favored 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 122.522 2.148 . . . . 0.0 111.538 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.537 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 27.8 t -81.38 133.79 35.47 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.265 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -84.72 -59.79 2.25 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.083 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 p -149.44 163.26 38.26 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 120.708 0.29 . . . . 0.0 111.04 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 34' ' ' ARG . 30.6 m -63.5 -33.83 76.44 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 172.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.18 -43.33 95.41 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 115.657 -0.702 . . . . 0.0 113.029 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 p -81.15 -32.94 33.45 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 117.27 0.535 . . . . 0.0 110.802 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.58 -46.63 84.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.557 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -62.37 -43.98 97.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.63 0.772 . . . . 0.0 110.135 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.41 -52.01 63.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.668 0.787 . . . . 0.0 109.876 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -60.91 -51.16 70.45 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.96 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.1 m -65.05 -34.31 78.11 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.46 -48.96 12.05 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.45 -46.92 24.85 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -90.1 -49.01 6.82 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.47 -6.22 50.28 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.012 -1.075 . . . . 0.0 112.504 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.7 m80 56.06 33.5 22.01 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.758 1.223 . . . . 0.0 113.086 174.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.4 mt -100.81 -173.86 2.49 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.474 ' HA ' ' HE ' ' A' ' 31' ' ' ARG . 1.1 tpm_? -60.57 -60.44 3.81 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.744 0.818 . . . . 0.0 111.664 -172.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 m -159.03 -178.94 7.6 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.63 140.16 9.65 Favored Glycine 0 C--N 1.286 -2.22 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HA ' HG22 ' A' ' 17' ' ' THR . 23.9 mtm180 -132.56 148.56 52.37 Favored 'General case' 0 CA--C 1.469 -2.156 0 CA-C-O 122.511 1.148 . . . . 0.0 113.443 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.2 t -99.71 117.48 34.15 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 113.118 -1.856 . . . . 0.0 107.753 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -101.77 -172.07 2.09 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.648 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.73 -15.29 60.3 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.359 0.6 . . . . 0.0 111.587 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.3 -3.97 56.3 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.762 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 51.57 51.97 15.63 Favored 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 125.029 1.332 . . . . 0.0 114.208 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -133.82 160.29 38.08 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.0 t -84.78 122.82 29.67 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 123.35 0.407 . . . . 0.0 109.92 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 m95 -111.16 124.81 52.95 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.2 m -94.97 129.32 42.07 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.8 m -90.37 133.76 34.77 Favored 'General case' 0 N--CA 1.403 -2.788 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -133.03 142.9 49.04 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.255 173.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.42 128.94 33.98 Favored 'General case' 0 N--CA 1.411 -2.412 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.077 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.279 -2.496 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.508 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 1' ' ' LYS . 7.5 mptt . . . . . 0 CA--C 1.507 -0.705 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 p -120.46 131.46 54.77 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.24 128.4 53.31 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.428 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 30.4 tt0 -116.03 135.74 53.67 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -140.11 167.81 21.27 Favored 'General case' 0 CA--C 1.471 -2.067 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.1 142.77 41.6 Favored 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.408 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.55 134.5 55.64 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 124.013 0.82 . . . . 0.0 109.557 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -81.18 -44.44 17.84 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.046 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 m -86.89 -11.98 49.15 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.753 0.787 . . . . 0.0 111.776 -171.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 41.8 t80 -87.47 103.32 15.4 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -178.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.54 122.24 46.25 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -178.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.91 -175.44 15.88 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.671 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.99 152.85 18.99 Favored 'Trans proline' 0 N--CA 1.44 -1.626 0 C-N-CA 122.91 2.407 . . . . 0.0 112.766 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 32.1 t -106.43 141.75 37.22 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 114.32 -1.309 . . . . 0.0 107.609 176.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' C ' ' HG1' ' A' ' 16' ' ' THR . 88.4 m-85 -118.56 -22.33 7.57 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.025 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.421 ' HG1' ' C ' ' A' ' 15' ' ' PHE . 89.4 m -153.99 138.94 17.22 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 120.856 0.36 . . . . 0.0 111.711 -177.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 34' ' ' ARG . 19.7 m -51.83 -39.0 58.09 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.989 1.316 . . . . 0.0 113.357 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.41 66.37 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 121.988 -0.149 . . . . 0.0 113.358 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.0 m -76.04 -26.74 56.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.599 0.714 . . . . 0.0 109.294 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.2 t -82.45 -48.88 10.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.429 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.98 -49.82 75.5 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 123.832 0.853 . . . . 0.0 112.518 -176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.44 -42.14 95.49 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -61.56 -50.04 74.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.494 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.1 m -63.31 -34.62 78.1 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.851 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -78.72 -56.11 4.66 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 120.788 0.327 . . . . 0.0 111.807 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -67.4 -54.24 22.16 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 123.707 0.803 . . . . 0.0 112.331 -174.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -93.8 -41.46 9.64 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.541 -0.464 . . . . 0.0 112.048 -171.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.251 11.5 mt-10 -95.59 -7.85 36.63 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 118.745 -1.182 . . . . 0.0 113.185 -175.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.3 m80 61.14 29.93 19.1 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -100.66 -170.37 1.85 Allowed 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.56 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.542 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 37.9 ttt180 -63.72 -65.68 0.65 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.364 0.602 . . . . 0.0 112.297 -173.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.7 m -155.91 -179.04 7.75 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 -175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.3 142.22 11.16 Favored Glycine 0 C--N 1.288 -2.111 0 N-CA-C 110.239 -1.145 . . . . 0.0 110.239 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HA ' HG22 ' A' ' 17' ' ' THR . 60.0 mtm180 -134.09 148.79 51.07 Favored 'General case' 0 CA--C 1.465 -2.291 0 CA-C-O 122.413 1.101 . . . . 0.0 112.703 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.0 t -101.84 116.48 32.8 Favored 'General case' 0 C--N 1.272 -2.765 0 CA-C-N 113.422 -1.717 . . . . 0.0 106.866 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.66 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 69.7 mtp180 -105.46 -179.78 4.04 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.458 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.9 -15.26 61.78 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.204 0.602 . . . . 0.0 112.163 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.72 -21.71 66.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.833 0.853 . . . . 0.0 109.409 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 65.61 32.25 9.34 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.727 1.251 . . . . 0.0 107.673 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -121.99 150.72 41.67 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.769 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.9 t -83.15 120.45 25.81 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.605 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.66 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 72.1 m95 -109.59 117.61 34.4 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.068 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 70.3 m -93.2 131.0 38.69 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -96.92 144.28 26.99 Favored 'General case' 0 N--CA 1.406 -2.655 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -133.38 154.21 50.94 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.542 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 94.8 m-20 -83.76 126.94 33.42 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.283 -2.303 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.803 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 27.9 mttp . . . . . 0 CA--C 1.496 -1.112 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.4 p -118.96 131.43 56.02 Favored 'General case' 0 N--CA 1.414 -2.262 0 CA-C-O 121.294 0.569 . . . . 0.0 109.828 174.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.3 m -119.8 128.38 53.66 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 31.5 tt0 -121.71 139.41 53.61 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -171.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -146.46 163.98 33.95 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.424 HD11 ' NH1' ' A' ' 40' ' ' ARG . 72.2 mt -69.03 138.63 54.61 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 124.448 1.099 . . . . 0.0 110.947 -177.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.62 106.91 4.22 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -80.93 -6.54 58.82 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -105.26 7.92 33.7 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 122.211 1.005 . . . . 0.0 108.516 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -111.02 120.71 43.29 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -121.84 137.71 54.67 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.477 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.16 161.17 14.59 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.594 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.31 142.44 79.35 Favored 'Trans proline' 0 C--O 1.246 0.904 0 C-N-CA 122.711 2.274 . . . . 0.0 112.029 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.54 137.53 46.34 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.547 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -129.78 1.7 4.9 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.0 m -146.96 128.65 15.2 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.438 -0.789 . . . . 0.0 111.912 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -59.7 -46.57 88.7 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.41 1.084 . . . . 0.0 111.254 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.21 -26.84 71.78 Favored Glycine 0 C--O 1.221 -0.701 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.7 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -73.87 -29.61 62.19 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.781 0.801 . . . . 0.0 109.09 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.54 -43.09 27.57 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.586 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.11 -46.78 84.99 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.939 0.496 . . . . 0.0 110.242 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -49.43 -49.65 44.16 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.535 1.134 . . . . 0.0 110.437 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.35 -52.91 42.24 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.716 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.23 -36.72 82.86 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.72 -56.62 4.44 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 121.197 0.522 . . . . 0.0 112.139 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -77.41 -40.17 44.53 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -172.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -93.02 -45.3 7.99 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.108 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -99.41 -1.22 39.22 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.14 -1.024 . . . . 0.0 113.719 -173.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.6 m80 57.8 30.68 19.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.214 1.006 . . . . 0.0 112.754 172.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.62 -171.07 1.99 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 2.3 tmt_? -72.65 -63.51 1.15 Allowed 'General case' 0 C--N 1.309 -1.168 0 O-C-N 123.187 0.305 . . . . 0.0 111.146 -171.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.0 m -147.39 -176.84 5.39 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.23 139.56 7.56 Favored Glycine 0 N--CA 1.422 -2.292 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -131.47 153.78 49.4 Favored 'General case' 0 CA--C 1.455 -2.707 0 CA-C-O 122.823 1.297 . . . . 0.0 111.969 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.1 t -107.78 108.36 19.53 Favored 'General case' 0 C--N 1.254 -3.56 0 CA-C-N 113.03 -1.896 . . . . 0.0 107.266 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.654 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 22.2 mtp180 -94.47 175.91 6.5 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.022 -174.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -76.55 1.42 16.76 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 122.384 1.088 . . . . 0.0 109.811 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.43 -10.58 59.75 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 113.821 -1.536 . . . . 0.0 108.743 174.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 68.93 18.53 8.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.827 1.251 . . . . 0.0 111.742 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.424 ' NH1' HD11 ' A' ' 6' ' ' LEU . 60.3 mtp180 -123.55 160.22 27.48 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 177.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.55 123.58 29.9 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.222 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.654 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 63.4 m95 -114.0 122.43 46.91 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.39 135.02 33.95 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.9 140.48 37.64 Favored 'General case' 0 N--CA 1.408 -2.534 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.482 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 37.7 ptt180 -140.38 152.98 46.19 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -78.83 132.64 36.93 Favored 'General case' 0 N--CA 1.419 -1.995 0 C-N-CA 123.381 0.672 . . . . 0.0 111.47 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 1' ' ' LYS . 14.7 p . . . . . 0 C--N 1.293 -1.864 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.8 pttm . . . . . 0 CA--C 1.49 -1.33 0 CA-C-O 120.58 0.228 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.3 p 63.52 121.92 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 125.663 1.585 . . . . 0.0 113.085 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.5 m -116.61 132.85 56.58 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.078 -173.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.0 tt0 -110.23 133.39 53.28 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.683 0.278 . . . . 0.0 110.266 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -150.01 161.3 42.61 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.7 mt -57.12 146.87 26.29 Favored 'General case' 0 C--N 1.277 -2.57 0 C-N-CA 126.236 1.814 . . . . 0.0 113.176 -175.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.31 147.16 51.53 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -98.14 -30.72 12.49 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.22 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -107.61 9.06 29.43 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -87.16 119.51 27.47 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -115.89 142.5 46.7 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.672 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.31 148.82 22.17 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.4 128.41 26.03 Favored 'Trans proline' 0 C--O 1.245 0.862 0 C-N-CA 122.314 2.009 . . . . 0.0 110.987 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.62 133.72 34.1 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.692 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -133.81 3.72 3.52 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.087 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -144.06 119.32 10.18 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.577 -0.702 . . . . 0.0 111.941 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.463 HG21 ' HA ' ' A' ' 34' ' ' ARG . 25.5 m -59.97 -36.02 76.23 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 122.694 0.398 . . . . 0.0 110.998 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.75 -26.76 69.0 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 121.466 -0.397 . . . . 0.0 112.441 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -83.95 -38.59 20.81 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.8 t -65.75 -52.13 53.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.163 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.95 -43.24 77.3 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 124.001 0.92 . . . . 0.0 110.867 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.34 -48.55 78.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.454 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.78 -46.48 81.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.466 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.83 -27.78 69.11 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.727 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 79.7 mttt -88.21 -56.77 3.18 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -67.46 -46.62 72.5 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.018 0.437 . . . . 0.0 112.13 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -92.38 -53.43 4.22 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.288 -173.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -88.93 -17.4 29.62 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -172.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.405 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 92.3 m-70 57.32 45.1 20.7 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 177.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -105.78 -169.08 1.53 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.537 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 4.5 tpm_? -60.38 -61.93 2.23 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 122.947 0.499 . . . . 0.0 112.2 -174.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.0 m -163.36 -174.49 3.8 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.54 138.36 7.14 Favored Glycine 0 N--CA 1.419 -2.484 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HA ' HG21 ' A' ' 17' ' ' THR . 77.6 mtm180 -125.82 145.24 50.31 Favored 'General case' 0 CA--C 1.462 -2.427 0 CA-C-O 122.277 1.037 . . . . 0.0 112.05 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.4 t -104.32 111.37 23.98 Favored 'General case' 0 C--N 1.268 -2.961 0 CA-C-N 113.762 -1.563 . . . . 0.0 107.514 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -104.5 179.55 4.24 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.606 -173.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.0 -4.51 4.69 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 124.792 1.237 . . . . 0.0 111.767 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.85 -15.34 61.16 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.6 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 68.7 19.76 8.41 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.266 1.426 . . . . 0.0 110.456 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -125.58 159.49 31.99 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.511 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.0 t -86.73 125.08 33.66 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 124.187 0.929 . . . . 0.0 109.47 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 46.5 m95 -113.39 110.68 20.72 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 123.997 0.919 . . . . 0.0 109.734 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.4 m -86.74 133.23 33.68 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 8.8 m -92.56 146.19 23.86 Favored 'General case' 0 N--CA 1.404 -2.758 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -135.55 159.01 42.94 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 81.8 m-20 -69.47 136.75 51.92 Favored 'General case' 0 N--CA 1.409 -2.477 0 C-N-CA 123.361 0.664 . . . . 0.0 109.321 175.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.29 -2.001 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 176.689 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.256 70.7 p 69.17 130.85 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.558 1.943 . . . . 0.0 113.622 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m -123.24 152.01 41.74 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.54 146.02 51.58 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -154.36 164.65 38.28 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.62 145.11 53.21 Favored 'General case' 0 N--CA 1.413 -2.322 0 C-N-CA 124.494 1.118 . . . . 0.0 111.902 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.9 107.99 6.45 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 172.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.79 -4.87 53.95 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -170.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.1 p -116.3 9.48 14.52 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.123 173.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -101.81 89.75 3.77 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -95.39 132.7 40.15 Favored 'General case' 0 C--N 1.275 -2.662 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.761 -175.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.57 -178.47 18.07 Favored Glycine 0 N--CA 1.426 -2.007 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.77 133.66 11.56 Favored 'Trans proline' 0 N--CA 1.445 -1.344 0 C-N-CA 122.533 2.155 . . . . 0.0 111.67 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t -94.38 145.29 24.86 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -127.12 -50.15 1.44 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -112.59 138.58 49.16 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 34' ' ' ARG . 23.7 m -60.03 -35.94 76.19 Favored 'General case' 0 C--O 1.211 -0.973 0 C-N-CA 123.555 0.742 . . . . 0.0 111.988 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.96 -32.73 83.15 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.166 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 m -74.98 -36.28 62.04 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.92 -48.86 62.25 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.931 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.92 -48.88 74.89 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.151 1.38 . . . . 0.0 110.999 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.45 -49.55 76.9 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 123.54 0.525 . . . . 0.0 110.72 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -60.06 -47.82 84.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.692 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.82 -36.22 83.18 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -76.23 -54.83 6.22 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-O 120.466 0.174 . . . . 0.0 111.404 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -64.77 -52.56 56.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.653 0.781 . . . . 0.0 112.435 -175.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 10.5 tmtt? -95.12 -50.27 5.14 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.606 -172.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.25 22.3 mt-10 -87.28 -6.0 58.7 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.094 -1.043 . . . . 0.0 112.637 -170.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.2 m80 62.89 26.33 15.5 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 125.279 1.432 . . . . 0.0 112.089 171.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -97.34 -171.9 2.3 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.672 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -68.69 -56.08 9.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.657 0.742 . . . . 0.0 111.019 -171.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 m -160.85 -175.44 4.94 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.05 138.36 7.7 Favored Glycine 0 N--CA 1.42 -2.42 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HA ' HG23 ' A' ' 17' ' ' THR . 24.9 mtm180 -124.02 142.48 51.14 Favored 'General case' 0 CA--C 1.452 -2.813 0 CA-C-O 122.481 1.134 . . . . 0.0 111.943 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.1 t -96.5 125.25 40.85 Favored 'General case' 0 C--N 1.261 -3.242 0 CA-C-N 113.484 -1.689 . . . . 0.0 106.972 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.668 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.5 mtp180 -108.64 161.8 14.74 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.728 -177.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.38 -10.16 30.98 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.591 1.156 . . . . 0.0 113.643 -169.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -88.37 11.45 16.78 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.936 0.874 . . . . 0.0 110.311 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 71.03 21.97 4.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.706 1.202 . . . . 0.0 112.765 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -121.63 148.89 43.96 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.445 -0.902 . . . . 0.0 111.893 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.6 t -83.67 132.14 34.89 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.328 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.668 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 49.9 m95 -121.32 122.37 39.71 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 84.2 m -89.54 129.69 35.98 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 m -93.29 135.25 34.69 Favored 'General case' 0 N--CA 1.411 -2.402 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -137.31 146.97 45.28 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.644 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -63.27 127.28 30.58 Favored 'General case' 0 N--CA 1.414 -2.228 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 C--N 1.283 -2.313 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -170.175 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt . . . . . 0 C--O 1.238 0.49 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.9 p -126.55 137.47 53.35 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.3 m -134.4 151.9 51.48 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -139.04 129.64 25.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -139.06 160.73 39.09 Favored 'General case' 0 CA--C 1.478 -1.79 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.68 139.35 58.31 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.426 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 128.03 35.14 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 123.788 0.68 . . . . 0.0 109.658 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -74.79 -30.45 61.44 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.258 -172.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 p -113.43 7.88 17.71 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 47.7 t80 -98.06 106.42 18.71 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -110.13 130.57 55.52 Favored 'General case' 0 C--N 1.278 -2.502 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -175.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.83 179.11 22.17 Favored Glycine 0 N--CA 1.431 -1.664 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.561 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -66.73 151.78 81.89 Favored 'Trans proline' 0 C--O 1.247 0.934 0 C-N-CA 123.223 2.616 . . . . 0.0 112.662 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 34.7 t -121.03 145.07 48.17 Favored 'General case' 0 C--N 1.289 -2.034 0 C-N-CA 125.092 1.357 . . . . 0.0 108.614 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -124.62 -39.94 2.25 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 123.26 0.35 . . . . 0.0 110.896 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.2 p -114.04 129.41 56.61 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -175.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 34' ' ' ARG . 20.0 m -62.48 -33.96 75.89 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.096 176.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.95 -36.66 93.18 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.078 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 m -76.31 -33.99 59.05 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.454 0.645 . . . . 0.0 109.471 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.6 t -66.13 -46.68 76.67 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.086 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.13 -43.18 99.12 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.998 0.428 . . . . 0.0 110.548 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.4 -44.29 76.04 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.913 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -66.48 -56.58 10.24 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.458 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.32 -36.82 81.17 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -71.95 -55.53 7.3 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -82.8 -52.71 6.49 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 121.892 -0.505 . . . . 0.0 112.073 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -71.4 -40.39 70.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.794 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -107.69 -5.46 17.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -175.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 59.17 33.14 22.6 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.879 0.872 . . . . 0.0 113.015 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.71 -172.22 2.11 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.728 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -69.17 -62.88 1.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.928 0.394 . . . . 0.0 110.759 -172.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 m -152.54 -176.64 5.8 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.38 140.75 8.99 Favored Glycine 0 N--CA 1.421 -2.316 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.523 ' HA ' HG22 ' A' ' 17' ' ' THR . 73.8 mtm180 -134.03 145.41 49.41 Favored 'General case' 0 CA--C 1.472 -2.032 0 CA-C-O 122.135 0.969 . . . . 0.0 112.035 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.0 t -106.39 98.81 8.44 Favored 'General case' 0 C--N 1.274 -2.711 0 CA-C-N 114.267 -1.333 . . . . 0.0 109.153 -176.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.526 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 24.6 mtp180 -71.39 171.33 11.42 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.99 -176.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.7 -13.84 60.08 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.393 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.19 -7.2 34.28 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 125.644 1.578 . . . . 0.0 110.646 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 65.19 35.8 7.57 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 122.106 0.955 . . . . 0.0 108.564 -175.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -132.63 143.5 49.71 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.01 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.9 t -85.29 125.25 32.76 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.54 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.526 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 53.5 m95 -116.55 126.55 53.48 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 124.452 1.101 . . . . 0.0 108.709 178.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.3 m -97.87 133.52 42.25 Favored 'General case' 0 C--N 1.284 -2.245 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 m -90.67 140.87 29.36 Favored 'General case' 0 N--CA 1.414 -2.248 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -147.66 143.06 27.38 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.008 0.432 . . . . 0.0 111.416 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -72.27 130.59 41.14 Favored 'General case' 0 N--CA 1.411 -2.384 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.286 -2.181 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.362 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp . . . . . 0 CA--C 1.505 -0.773 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.262 31.8 p 60.4 113.62 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 125.278 1.431 . . . . 0.0 114.244 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.7 m -93.65 135.9 34.47 Favored 'General case' 0 C--N 1.267 -2.995 0 CA-C-N 113.643 -1.617 . . . . 0.0 107.148 -176.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.6 tt0 -146.39 134.89 22.04 Favored 'General case' 0 N--CA 1.41 -2.456 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -173.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -142.74 167.15 22.76 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.56 144.61 54.51 Favored 'General case' 0 N--CA 1.401 -2.888 0 C-N-CA 123.289 0.635 . . . . 0.0 111.829 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 115.71 8.82 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -75.64 -22.52 56.71 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -171.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.453 HG21 ' CE1' ' A' ' 23' ' ' HIS . 10.1 t -111.95 14.64 20.89 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 119.579 -0.848 . . . . 0.0 111.967 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -98.9 102.08 13.68 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -103.58 127.99 50.9 Favored 'General case' 0 C--N 1.278 -2.503 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.7 153.84 8.55 Favored Glycine 0 N--CA 1.422 -2.271 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -61.56 131.24 34.9 Favored 'Trans proline' 0 C--O 1.241 0.67 0 C-N-CA 122.541 2.161 . . . . 0.0 109.966 174.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.4 t -102.66 151.77 21.98 Favored 'General case' 0 C--N 1.286 -2.195 0 C-N-CA 123.751 0.82 . . . . 0.0 109.341 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -132.5 -38.22 1.04 Allowed 'General case' 0 C--N 1.315 -0.899 0 O-C-N 123.514 0.509 . . . . 0.0 112.087 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.2 m -112.3 138.0 49.64 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 121.745 0.783 . . . . 0.0 113.109 -173.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 34' ' ' ARG . 39.1 m -64.53 -44.88 89.43 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 123.809 0.843 . . . . 0.0 112.236 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.33 -37.22 93.68 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.531 -0.366 . . . . 0.0 113.516 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 p -72.98 -32.13 64.99 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.385 0.612 . . . . 0.0 110.085 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -69.21 -48.13 62.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.978 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.98 -48.21 78.93 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 124.396 1.078 . . . . 0.0 111.116 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.88 -47.01 60.65 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.154 0.982 . . . . 0.0 110.509 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' CE1' HG21 ' A' ' 9' ' ' THR . 59.0 t60 -65.95 -47.88 73.19 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.329 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.8 m -64.99 -32.34 74.01 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -78.66 -56.62 4.28 Favored 'General case' 0 N--CA 1.42 -1.97 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -71.92 -42.3 66.87 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -174.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -96.77 -48.04 5.63 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.012 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -93.61 -4.65 50.41 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.424 -0.911 . . . . 0.0 112.753 -173.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.7 m80 55.11 34.43 22.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.805 1.242 . . . . 0.0 113.85 172.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 HD11 ' CB ' ' A' ' 43' ' ' CYS . 78.9 mt -101.42 -174.3 2.57 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -69.35 -56.51 7.28 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.052 0.454 . . . . 0.0 112.186 -170.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 m -151.63 178.8 8.97 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.22 152.19 23.49 Favored Glycine 0 N--CA 1.417 -2.575 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HA ' HG22 ' A' ' 17' ' ' THR . 64.1 mtm180 -136.93 145.34 44.14 Favored 'General case' 0 CA--C 1.447 -2.984 0 CA-C-O 122.146 0.974 . . . . 0.0 111.737 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 t -104.34 92.5 4.36 Favored 'General case' 0 C--N 1.255 -3.503 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 59.8 mtp180 -82.15 178.02 8.49 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 114.524 -1.216 . . . . 0.0 112.637 -171.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -70.89 11.31 0.4 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.184 0.993 . . . . 0.0 113.264 -173.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.43 -7.17 48.34 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 66.44 30.12 8.88 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 122.451 1.12 . . . . 0.0 108.743 -173.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -130.71 151.61 50.97 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.26 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.0 t -85.67 127.36 34.47 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.418 -1.264 . . . . 0.0 108.839 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.491 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 61.6 m95 -115.65 136.3 53.2 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.409 ' CB ' HD11 ' A' ' 30' ' ' LEU . 63.1 m -108.87 140.15 42.72 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.1 t -121.44 152.36 39.17 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.479 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -143.51 142.43 31.14 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.54 142.04 58.56 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.427 -1.588 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 178.411 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.8 mptt . . . . . 0 CA--C 1.511 -0.523 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.3 p -118.58 130.85 56.12 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 120.717 0.294 . . . . 0.0 110.395 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.9 m -122.58 146.62 47.27 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -130.03 136.04 48.95 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.612 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -141.32 155.44 45.96 Favored 'General case' 0 CA--C 1.482 -1.67 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.789 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.24 140.48 44.57 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 124.067 0.947 . . . . 0.0 111.405 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -78.85 93.26 4.98 Favored 'General case' 0 N--CA 1.413 -2.286 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.27 -13.61 61.95 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.576 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -97.06 4.66 51.27 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-O 122.596 1.188 . . . . 0.0 109.127 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -111.49 112.96 25.06 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -122.56 131.17 53.71 Favored 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.03 160.87 10.08 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.42 119.54 6.56 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.365 2.043 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.79 122.54 24.21 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -97.27 -41.7 8.15 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.854 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.6 p -135.52 154.27 51.45 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 120.793 0.33 . . . . 0.0 111.489 -176.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.4 m -61.77 -31.34 71.53 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.202 173.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.08 -31.61 81.39 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.745 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 t -76.0 -26.49 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.014 0.912 . . . . 0.0 108.818 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -84.87 -50.76 7.26 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.79 -177.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.74 -45.69 81.81 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 123.725 0.81 . . . . 0.0 111.577 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.21 -48.13 81.31 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.06 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -59.19 -49.15 78.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.594 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.5 m -63.69 -31.07 72.12 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -84.13 -53.08 5.77 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -64.72 -50.52 66.61 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.969 0.908 . . . . 0.0 111.662 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -96.38 -51.33 4.41 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -174.307 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -88.28 -12.71 42.79 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 119.225 -0.99 . . . . 0.0 112.817 -171.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.1 m80 59.44 36.88 23.24 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.566 1.146 . . . . 0.0 112.72 175.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -102.15 -170.64 1.84 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.48 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -63.46 -62.37 1.72 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.577 0.703 . . . . 0.0 111.79 -172.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 m -157.91 -176.41 5.91 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 -177.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.11 139.05 7.87 Favored Glycine 0 N--CA 1.421 -2.331 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -127.53 145.99 50.67 Favored 'General case' 0 CA--C 1.465 -2.3 0 CA-C-O 122.165 0.983 . . . . 0.0 112.057 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.6 t -92.73 121.38 34.07 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 113.622 -1.627 . . . . 0.0 107.413 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 34.6 mtp180 -116.83 174.45 6.08 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.729 -0.789 . . . . 0.0 112.858 -175.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -66.79 1.23 1.93 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.853 1.261 . . . . 0.0 114.403 -173.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.04 -5.34 59.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 69.49 20.71 7.08 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 124.44 1.096 . . . . 0.0 108.705 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -121.5 160.56 23.98 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.479 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -84.05 139.3 32.59 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.894 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.455 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 47.1 m95 -125.08 120.75 32.33 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 123.849 0.859 . . . . 0.0 108.98 177.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 81.6 m -91.9 132.31 36.58 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 m -94.95 138.15 33.08 Favored 'General case' 0 N--CA 1.402 -2.856 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -133.31 140.19 47.29 Favored 'General case' 0 C--N 1.282 -2.337 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.91 126.61 30.18 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.272 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.285 -2.232 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.479 ' HZ2' ' HB3' ' A' ' 1' ' ' LYS . 8.0 mtpm? . . . . . 0 CA--C 1.492 -1.27 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 p -132.33 121.85 24.18 Favored 'General case' 0 N--CA 1.412 -2.359 0 CA-C-O 121.708 0.766 . . . . 0.0 109.318 173.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.4 m -99.68 130.87 45.94 Favored 'General case' 0 C--N 1.257 -3.438 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.3 tt0 -126.21 131.8 51.89 Favored 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -137.91 161.72 35.91 Favored 'General case' 0 CA--C 1.471 -2.059 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.54 144.32 53.15 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.553 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 120.91 14.47 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -74.91 -31.11 61.47 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.253 -172.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 p -100.66 11.71 38.95 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.518 0.675 . . . . 0.0 112.177 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -110.19 108.55 18.72 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -121.17 98.79 6.15 Favored 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.739 -173.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.5 -179.0 24.74 Favored Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.24 139.13 20.87 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.414 2.076 . . . . 0.0 111.675 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 t -110.72 139.39 46.05 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.084 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -136.13 9.67 3.26 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.323 0.389 . . . . 0.0 110.761 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.7 m -146.22 118.39 8.33 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.081 0.467 . . . . 0.0 111.217 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.621 ' OG1' ' HA ' ' A' ' 34' ' ' ARG . 5.5 t -74.51 -26.11 59.78 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -175.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.5 -34.68 85.07 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.8 t -77.25 -28.73 53.67 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.79 -47.25 60.51 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.7 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.48 -49.41 77.43 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -47.11 -50.45 20.11 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 124.24 0.963 . . . . 0.0 110.36 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -62.43 -51.76 66.25 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.733 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.6 m -66.6 -28.16 68.28 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -77.15 -66.52 0.82 Allowed 'General case' 0 N--CA 1.427 -1.609 0 CA-C-O 121.169 0.509 . . . . 0.0 110.534 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -67.15 -45.74 76.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.204 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -91.21 -42.15 10.59 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -105.1 -3.61 22.89 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -172.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 56.73 35.12 25.73 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.797 1.239 . . . . 0.0 112.956 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -102.72 -176.9 3.23 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.552 -0.718 . . . . 0.0 111.908 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 17.1 ttp180 -60.73 -57.15 13.89 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 123.928 0.767 . . . . 0.0 111.757 -171.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 m -158.92 178.05 10.5 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.75 140.79 11.04 Favored Glycine 0 C--N 1.282 -2.451 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.621 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 74.8 mtm180 -132.93 141.86 48.58 Favored 'General case' 0 CA--C 1.461 -2.46 0 CA-C-O 122.378 1.085 . . . . 0.0 111.748 178.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 27.0 t -100.22 105.07 16.61 Favored 'General case' 0 C--N 1.254 -3.548 0 CA-C-N 113.465 -1.698 . . . . 0.0 107.237 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.676 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 57.0 mtp180 -84.46 163.53 19.39 Favored 'General case' 0 C--N 1.286 -2.189 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.523 -176.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -75.87 12.44 1.09 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.798 1.285 . . . . 0.0 110.369 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 36' ' ' ARG . 35.0 t70 -78.31 -9.85 59.42 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 113.068 -1.878 . . . . 0.0 107.535 170.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 72.84 20.34 3.63 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 125.823 1.649 . . . . 0.0 111.859 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -131.57 159.89 36.89 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.58 121.74 31.29 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.089 -0.96 . . . . 0.0 108.667 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.676 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 63.1 m95 -114.21 119.01 35.59 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.243 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.19 134.26 34.1 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -110.84 152.22 26.93 Favored 'General case' 0 N--CA 1.412 -2.35 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -175.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 16.4 ptt180 -152.25 152.69 32.51 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -81.94 139.34 34.66 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.294 -1.828 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.162 179.756 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 57.3 mttp . . . . . 0 CA--C 1.498 -1.029 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -121.2 130.21 53.59 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 121.987 0.898 . . . . 0.0 110.71 177.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.48 136.41 53.11 Favored 'General case' 0 C--N 1.27 -2.86 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -133.15 144.81 50.13 Favored 'General case' 0 C--N 1.292 -1.908 0 C-N-CA 119.541 -0.863 . . . . 0.0 109.043 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -159.28 168.44 26.45 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.61 146.46 53.84 Favored 'General case' 0 N--CA 1.403 -2.785 0 C-N-CA 123.744 0.818 . . . . 0.0 111.772 -176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 136.75 58.02 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.793 175.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -76.38 -41.17 48.94 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.31 0.576 . . . . 0.0 111.304 -173.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 p -105.72 12.6 30.8 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -99.33 104.74 16.66 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -98.42 131.68 44.49 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.158 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.43 -177.08 31.9 Favored Glycine 0 C--O 1.25 1.133 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.63 174.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -72.41 146.06 44.1 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.99 2.46 . . . . 0.0 111.906 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.1 t -104.25 142.23 34.89 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.523 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -126.91 -3.4 6.47 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.158 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.2 m -152.73 125.9 8.59 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 121.891 -0.506 . . . . 0.0 112.061 -173.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 34' ' ' ARG . 21.3 m -63.8 -33.22 75.18 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.54 0.736 . . . . 0.0 110.862 176.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.57 -21.74 65.15 Favored Glycine 0 C--O 1.225 -0.461 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.094 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 t -86.02 -42.54 13.89 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.22 -50.09 62.04 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.966 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 14.4 t70 -58.38 -47.12 84.87 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.914 0.388 . . . . 0.0 110.603 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.17 -46.94 72.46 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.34 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -67.42 -51.49 51.06 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.652 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.1 m -64.63 -32.74 74.54 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 5.7 mmtp -81.21 -57.68 3.4 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -81.85 -34.69 29.98 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 1.3 tmtp? -91.35 -52.33 4.85 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.633 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -90.75 -8.99 48.27 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -173.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.498 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 83.5 m-70 60.36 32.36 20.64 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.59 1.156 . . . . 0.0 114.026 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -95.91 -168.03 1.69 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.496 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 56.2 ttt180 -65.7 -61.25 2.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.027 0.441 . . . . 0.0 111.877 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.3 m -160.03 -176.32 5.6 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.5 141.21 9.09 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HA ' HG22 ' A' ' 17' ' ' THR . 79.8 mtm180 -131.72 146.85 52.39 Favored 'General case' 0 CA--C 1.463 -2.394 0 CA-C-O 122.289 1.042 . . . . 0.0 112.611 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -99.31 107.66 19.99 Favored 'General case' 0 C--N 1.271 -2.82 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -101.87 -177.49 3.43 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.02 -21.04 64.56 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.197 1.399 . . . . 0.0 112.067 -177.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.03 -7.83 53.01 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.097 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 65.43 26.71 11.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.053 1.341 . . . . 0.0 111.717 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -126.03 159.19 33.4 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.763 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.02 119.11 25.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.086 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -110.19 120.16 41.57 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.5 m -92.39 133.02 36.28 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.9 m -89.65 136.59 32.95 Favored 'General case' 0 N--CA 1.409 -2.48 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -134.21 136.25 43.56 Favored 'General case' 0 C--N 1.287 -2.11 0 CA-C-O 121.34 0.591 . . . . 0.0 110.108 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.496 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 92.1 m-20 -74.39 135.22 42.41 Favored 'General case' 0 N--CA 1.405 -2.698 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.118 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.284 -2.259 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.52 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 N--CA 1.428 -1.55 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 23.6 tt0 -138.42 133.05 32.32 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.52 -172.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -145.05 165.56 27.88 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.97 145.69 55.59 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 123.688 0.795 . . . . 0.0 112.389 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.18 126.65 30.21 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -75.06 -45.38 41.91 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.024 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -95.91 17.11 15.98 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -103.88 98.86 8.64 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -102.22 108.59 20.01 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.816 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.47 172.51 12.56 Favored Glycine 0 N--CA 1.432 -1.579 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -75.2 154.15 41.36 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.187 1.925 . . . . 0.0 111.327 176.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.6 t -107.65 141.62 38.86 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.48 -19.84 5.75 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.995 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -144.29 138.54 28.0 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.82 -0.55 . . . . 0.0 110.664 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 34' ' ' ARG . 22.8 m -61.07 -37.48 82.82 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.3 -30.04 60.88 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 121.475 -0.393 . . . . 0.0 113.029 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -75.8 -43.73 44.79 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.4 -46.4 70.1 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.814 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 20.9 t70 -63.08 -39.87 96.0 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.83 -176.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 26' ' ' ASN . 21.8 t70 -63.34 -42.64 98.96 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -58.97 -49.61 77.23 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.981 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.9 m -69.32 -36.86 77.4 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 49.0 mttp -77.78 -58.56 3.2 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.385 0.612 . . . . 0.0 112.003 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.522 ' HB3' ' O ' ' A' ' 22' ' ' ASP . 12.8 t30 -72.48 -44.54 62.13 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 124.375 1.07 . . . . 0.0 112.748 -173.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -93.39 -48.04 6.6 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.517 -0.873 . . . . 0.0 112.276 -177.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -93.65 -7.08 44.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 85.6 m-70 53.66 45.74 27.39 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -110.11 -171.89 1.93 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.423 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -65.29 -66.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.926 0.87 . . . . 0.0 111.55 -172.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -144.41 177.02 8.94 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.15 135.8 6.22 Favored Glycine 0 N--CA 1.411 -2.981 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HA ' HG23 ' A' ' 17' ' ' THR . 79.7 mtm180 -128.02 144.48 51.11 Favored 'General case' 0 CA--C 1.457 -2.603 0 CA-C-O 122.442 1.115 . . . . 0.0 112.82 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 6.8 t -97.3 104.33 16.34 Favored 'General case' 0 C--N 1.271 -2.809 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -94.68 178.6 5.53 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 119.467 -0.893 . . . . 0.0 112.954 -171.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.23 -26.4 66.38 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.575 1.15 . . . . 0.0 112.064 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.59 4.37 18.76 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.073 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 69.41 10.01 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 173.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -111.76 165.35 12.13 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.865 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.6 124.05 33.67 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.425 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.438 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 45.6 m95 -116.54 127.64 54.71 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -95.23 132.6 40.02 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.3 m -94.3 139.49 31.0 Favored 'General case' 0 N--CA 1.407 -2.591 0 N-CA-C 105.701 -1.963 . . . . 0.0 105.701 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -138.46 144.68 40.2 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 117.977 0.353 . . . . 0.0 110.097 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -72.72 133.91 44.78 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.6 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.07 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 89.3 m . . . . . 0 N--CA 1.435 -1.206 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.47 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 31.2 tt0 -127.32 141.12 51.78 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.444 -171.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -145.32 159.4 43.09 Favored 'General case' 0 CA--C 1.481 -1.702 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.51 140.49 58.88 Favored 'General case' 0 N--CA 1.414 -2.269 0 C-N-CA 123.572 0.749 . . . . 0.0 110.143 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 10' ' ' TYR . . . -61.04 136.31 58.04 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -82.19 -38.34 24.75 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.795 -173.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.0 p -107.81 8.44 28.75 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -175.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.454 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 2.1 t80 -106.06 126.2 51.91 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 176.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -141.04 129.55 22.6 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.94 175.74 14.35 Favored Glycine 0 N--CA 1.427 -1.945 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.11 108.75 1.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.06 2.507 . . . . 0.0 111.778 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 t -84.85 135.61 34.01 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.079 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -121.5 -33.99 3.53 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.965 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.9 m -115.92 124.98 51.94 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 121.527 0.68 . . . . 0.0 112.385 -173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.602 HG23 ' HA ' ' A' ' 34' ' ' ARG . 18.0 m -59.62 -38.48 81.43 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.416 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.66 -36.53 79.03 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.739 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -70.65 -44.1 67.79 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.35 0.595 . . . . 0.0 109.413 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.75 -47.64 84.29 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.331 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 12.9 t70 -55.99 -52.85 62.72 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.615 1.166 . . . . 0.0 112.175 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.79 -43.05 94.61 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.617 0.573 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -59.73 -50.73 72.71 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.23 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.5 m -64.24 -37.03 86.02 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.666 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.85 -49.32 30.9 Favored 'General case' 0 N--CA 1.425 -1.709 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -81.14 -50.72 9.27 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -173.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -92.16 -35.86 13.62 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.586 -0.846 . . . . 0.0 111.531 -173.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -96.21 -7.75 34.84 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 119.617 -0.833 . . . . 0.0 112.683 -177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 47.45 53.5 10.93 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.861 1.264 . . . . 0.0 111.754 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.8 mt -116.11 -170.07 1.73 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.503 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -65.05 -68.31 0.37 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.355 0.598 . . . . 0.0 111.115 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 m -155.91 -178.45 7.31 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' N ' ' HA ' ' A' ' 21' ' ' ASP . . . -141.1 145.06 15.43 Favored Glycine 0 N--CA 1.418 -2.535 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.602 ' HA ' HG23 ' A' ' 17' ' ' THR . 63.3 mtm180 -133.12 143.92 49.59 Favored 'General case' 0 CA--C 1.456 -2.649 0 CA-C-O 122.164 0.983 . . . . 0.0 112.244 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.0 t -99.95 110.81 23.14 Favored 'General case' 0 C--N 1.267 -2.985 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.155 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.573 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.6 mtp180 -99.26 178.87 4.77 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.882 -175.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.99 5.73 4.0 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -173.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -80.35 -13.86 58.82 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 69.38 27.82 4.91 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -170.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -124.71 149.74 46.91 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.007 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.8 t -83.86 126.21 32.74 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.546 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 65.4 m95 -113.65 122.62 47.73 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.97 129.9 43.1 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 t -101.25 152.02 21.18 Favored 'General case' 0 N--CA 1.406 -2.67 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 3' ' ' CYS . 13.8 ptp180 -136.52 150.71 48.8 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -80.48 120.88 25.05 Favored 'General case' 0 N--CA 1.396 -3.172 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 175.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.265 -3.066 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.349 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.6 m . . . . . 0 N--CA 1.427 -1.605 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.9 tt0 -121.25 134.64 55.18 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -174.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -143.49 159.11 43.02 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.34 139.38 58.19 Favored 'General case' 0 N--CA 1.419 -1.991 0 C-N-CA 123.995 0.918 . . . . 0.0 111.348 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.15 123.6 18.59 Favored 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 123.497 0.498 . . . . 0.0 110.183 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -64.86 -41.23 95.85 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.456 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 p -108.37 13.09 25.84 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -100.38 98.64 9.26 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -104.9 123.49 47.82 Favored 'General case' 0 C--N 1.273 -2.737 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.74 179.3 15.97 Favored Glycine 0 C--O 1.259 1.686 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -82.17 145.98 13.99 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 123.128 2.552 . . . . 0.0 111.918 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.4 t -108.56 138.22 45.23 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.001 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -126.55 -4.98 6.51 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.429 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.2 m -148.0 123.5 10.39 Favored 'General case' 0 CA--C 1.558 1.258 0 O-C-N 121.452 -0.78 . . . . 0.0 112.416 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.526 HG23 ' HA ' ' A' ' 34' ' ' ARG . 45.5 m -58.25 -36.59 73.45 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.268 0.627 . . . . 0.0 111.678 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.76 -23.93 63.82 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.749 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.9 m -87.1 -36.6 18.02 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -69.7 -45.06 69.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.38 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.416 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 22.7 t70 -59.79 -41.19 90.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.039 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.31 -49.92 70.92 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.537 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -61.34 -50.72 71.8 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.298 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.6 m -66.08 -36.45 83.22 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.003 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 46.8 mttp -77.39 -57.72 3.67 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 177.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -73.35 -41.35 63.56 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -171.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 -44.63 6.93 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 118.909 -1.116 . . . . 0.0 111.176 -175.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -93.63 -7.44 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 49.89 51.84 15.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.949 1.299 . . . . 0.0 112.412 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 43' ' ' CYS . 73.2 mt -111.69 -173.87 2.34 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.654 174.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -65.7 -64.04 0.95 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.549 0.69 . . . . 0.0 111.233 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 m -148.46 178.49 8.56 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.41 136.68 6.39 Favored Glycine 0 N--CA 1.421 -2.363 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.526 ' HA ' HG23 ' A' ' 17' ' ' THR . 65.1 mtm180 -124.05 146.21 48.72 Favored 'General case' 0 CA--C 1.458 -2.573 0 CA-C-O 122.333 1.063 . . . . 0.0 112.73 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.8 t -103.73 106.12 16.54 Favored 'General case' 0 C--N 1.27 -2.851 0 CA-C-N 113.094 -1.866 . . . . 0.0 106.301 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.3 mtp180 -97.09 176.94 5.76 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.082 -171.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.37 -12.62 57.86 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.79 0.836 . . . . 0.0 113.166 -173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 40' ' ' ARG . 4.2 p-10 -87.92 4.38 45.0 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.051 177.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 64.16 26.22 13.82 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 112.0 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.491 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 24.3 mmm180 -120.15 154.76 34.29 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.044 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -89.34 125.44 35.13 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.634 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.534 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 66.2 m95 -115.7 122.09 44.47 Favored 'General case' 0 C--N 1.286 -2.165 0 C-N-CA 123.992 0.917 . . . . 0.0 109.073 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.409 ' HB3' HD12 ' A' ' 30' ' ' LEU . 69.4 m -96.65 134.57 39.74 Favored 'General case' 0 C--N 1.285 -2.231 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.5 t -113.95 146.48 40.04 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -143.73 151.43 40.01 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -69.36 127.71 33.99 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--N 1.29 -2.018 0 CA-C-O 119.036 -0.507 . . . . 0.0 110.182 -178.237 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 N--CA 1.432 -1.356 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.444 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 32.2 tt0 -146.87 132.3 18.62 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -145.56 157.12 44.03 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.7 mt -54.23 140.41 32.84 Favored 'General case' 0 N--CA 1.42 -1.959 0 C-N-CA 124.74 1.216 . . . . 0.0 111.813 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.59 129.56 41.67 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.307 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -62.71 -44.92 94.99 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 123.331 0.652 . . . . 0.0 111.558 -174.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 p -106.8 18.85 21.3 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -174.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.538 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 42.6 t80 -100.43 89.6 4.01 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 119.694 -0.802 . . . . 0.0 108.848 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -96.74 94.66 7.42 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.104 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.2 175.16 22.05 Favored Glycine 0 N--CA 1.43 -1.733 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -69.69 147.35 63.1 Favored 'Trans proline' 0 C--O 1.252 1.188 0 C-N-CA 122.895 2.397 . . . . 0.0 111.743 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.538 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 47.0 t -88.38 141.13 28.79 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.937 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -92.17 -70.17 0.71 Allowed 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.174 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 p -142.58 170.03 16.46 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.698 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 33' ' ' GLY . 23.7 m -61.69 -32.22 72.41 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.188 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.05 -36.26 92.04 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.711 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.9 p -83.18 -33.09 26.26 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 117.291 0.546 . . . . 0.0 110.308 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.83 -47.51 65.84 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.044 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.416 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 18.6 t70 -62.97 -39.81 95.82 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.007 0.523 . . . . 0.0 110.131 -178.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -51.82 -47.62 64.24 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.256 175.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -68.54 -49.52 58.92 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.768 -1.106 . . . . 0.0 111.32 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.9 m -65.84 -31.64 72.71 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 46.8 mttp -81.22 -62.88 1.53 Allowed 'General case' 0 N--CA 1.423 -1.807 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -67.93 -44.89 75.82 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -172.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -88.72 -47.06 8.51 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.392 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.9 -9.0 29.4 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -171.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.4 m80 56.25 38.47 29.83 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.873 0.869 . . . . 0.0 112.589 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -102.81 -165.46 1.18 Allowed 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.976 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' THR . 6.3 tpm_? -69.79 -69.67 0.33 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.772 0.796 . . . . 0.0 111.232 -175.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -149.89 -178.84 6.7 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' THR . . . -146.44 128.65 3.09 Favored Glycine 0 N--CA 1.414 -2.819 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 176.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -121.41 144.78 48.49 Favored 'General case' 0 CA--C 1.46 -2.512 0 CA-C-O 122.638 1.209 . . . . 0.0 112.828 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.2 t -97.93 110.25 22.86 Favored 'General case' 0 N--CA 1.399 -2.99 0 CA-C-N 112.991 -1.913 . . . . 0.0 107.674 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.525 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 30.7 mtp180 -96.12 169.45 9.95 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.78 -176.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -78.04 7.02 6.7 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 122.738 1.256 . . . . 0.0 110.117 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -78.85 -17.82 55.02 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 112.74 -2.027 . . . . 0.0 108.209 172.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 69.78 17.23 7.72 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 125.547 1.539 . . . . 0.0 113.662 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -121.17 157.19 30.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 174.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.4 t -83.83 128.16 34.34 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 123.442 0.464 . . . . 0.0 110.082 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 47.1 m95 -116.61 116.74 28.14 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.708 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.5 m -87.68 130.71 34.71 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 24.0 m -84.96 145.74 27.59 Favored 'General case' 0 N--CA 1.406 -2.631 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -143.77 139.61 29.49 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 121.348 0.594 . . . . 0.0 110.429 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.22 133.83 47.44 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.509 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 C--N 1.297 -1.692 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.1 m . . . . . 0 CA--C 1.501 -0.928 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.471 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 33.8 tt0 -126.37 126.85 44.57 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 -178.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.67 156.95 45.11 Favored 'General case' 0 CA--C 1.484 -1.585 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -176.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.81 143.2 43.08 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 124.437 1.095 . . . . 0.0 112.664 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.28 133.83 48.39 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -84.9 -36.13 21.69 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -172.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.412 HG21 ' HE3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -101.75 15.27 29.46 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.694 0.759 . . . . 0.0 110.535 -176.281 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.476 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 25.1 t80 -93.93 108.59 20.37 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -98.17 123.59 42.3 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.292 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.8 -176.09 21.94 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.825 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.23 155.24 32.89 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 C-N-CA 122.68 2.253 . . . . 0.0 111.057 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 42.4 t -88.06 152.56 21.93 Favored 'General case' 0 N--CA 1.408 -2.527 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.837 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -113.97 -54.88 2.56 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.74 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -139.51 150.37 45.04 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.208 -176.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 34' ' ' ARG . 42.8 m -55.54 -47.59 76.09 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.852 0.861 . . . . 0.0 112.579 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.47 -29.77 70.12 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.353 -0.451 . . . . 0.0 113.644 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 t -78.05 -39.15 42.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.07 -43.65 86.76 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.12 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.54 -46.32 89.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 123.792 0.837 . . . . 0.0 109.977 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -56.22 -51.93 66.3 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.161 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -57.06 -48.88 77.48 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.548 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -65.26 -41.67 94.04 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -76.0 -49.15 18.46 Favored 'General case' 0 N--CA 1.426 -1.638 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -75.03 -54.87 6.41 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-O 121.058 0.456 . . . . 0.0 111.967 -175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HE3' HG21 ' A' ' 9' ' ' THR . 21.2 tptp -86.4 -52.09 5.82 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -78.37 -18.43 55.11 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.609 0.718 . . . . 0.0 111.806 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.8 m80 67.18 31.21 6.83 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 114.172 -1.376 . . . . 0.0 111.492 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -98.96 -167.03 1.43 Allowed 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.879 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.542 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 13.2 ttp180 -82.56 -57.81 3.18 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.925 0.393 . . . . 0.0 111.663 -169.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.5 m -151.91 -179.25 7.31 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -151.64 144.07 11.22 Favored Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.503 ' HA ' HG23 ' A' ' 17' ' ' THR . 54.5 mtm180 -132.4 154.19 50.06 Favored 'General case' 0 CA--C 1.464 -2.35 0 CA-C-O 122.626 1.203 . . . . 0.0 112.639 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 t -111.27 99.08 7.97 Favored 'General case' 0 C--N 1.268 -2.935 0 CA-C-N 113.127 -1.851 . . . . 0.0 107.28 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -89.02 -178.98 5.83 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.566 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.03 -23.85 65.73 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -80.12 0.37 32.42 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.983 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 63.54 26.68 14.82 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.129 0.972 . . . . 0.0 113.278 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -116.74 154.29 30.9 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -79.89 117.13 20.47 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.865 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.471 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 49.5 m95 -109.68 116.9 32.56 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.003 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.432 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 78.0 m -85.58 130.88 34.47 Favored 'General case' 0 C--N 1.277 -2.553 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -93.84 137.22 33.31 Favored 'General case' 0 N--CA 1.403 -2.794 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.542 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 8.3 ptm180 -143.92 159.65 42.19 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 119.262 -0.975 . . . . 0.0 113.207 -175.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -73.37 123.29 23.52 Favored 'General case' 0 N--CA 1.388 -3.53 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.254 -3.581 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -170.879 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HB2' ' HG3' ' A' ' 45' ' ' ARG . 95.9 m . . . . . 0 N--CA 1.417 -2.116 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 26.8 tt0 -143.03 135.17 27.14 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.02 -176.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -140.32 168.65 19.32 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -71.41 146.35 48.76 Favored 'General case' 0 C--N 1.291 -1.96 0 C-N-CA 123.739 0.816 . . . . 0.0 111.713 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.6 139.68 45.7 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -92.74 -32.55 14.66 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.604 -173.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -102.38 3.41 37.85 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.642 0.734 . . . . 0.0 112.412 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -99.54 84.56 2.98 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -96.33 121.13 37.79 Favored 'General case' 0 C--N 1.275 -2.663 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.126 -175.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.88 -170.72 19.3 Favored Glycine 0 C--N 1.301 -1.399 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -173.11 1.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.529 2.153 . . . . 0.0 111.052 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.8 m -69.43 119.58 13.91 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.728 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.96 -56.51 3.52 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 169.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.66 141.97 14.9 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.182 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.51 HG23 ' HA ' ' A' ' 34' ' ' ARG . 63.3 m -57.28 -47.55 81.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.873 0.869 . . . . 0.0 110.646 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.99 -35.69 92.44 Favored Glycine 0 C--O 1.224 -0.477 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.718 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -78.23 -26.12 47.21 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.223 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.5 t -65.91 -43.82 87.05 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.438 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 28.8 t70 -61.2 -54.56 42.7 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.293 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.7 -40.91 80.56 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.106 0.479 . . . . 0.0 110.709 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -59.23 -53.45 58.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.83 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.69 -36.39 82.75 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.587 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -71.04 -55.88 7.32 Favored 'General case' 0 N--CA 1.421 -1.881 0 C-N-CA 122.87 0.468 . . . . 0.0 112.079 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -73.36 -59.58 2.65 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -81.16 -37.27 29.05 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-O 120.892 0.377 . . . . 0.0 111.822 -170.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -104.89 1.06 28.56 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 119.15 -1.02 . . . . 0.0 113.065 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 56.97 29.16 15.88 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.55 1.14 . . . . 0.0 112.626 171.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.0 mt -101.92 -170.33 1.8 Allowed 'General case' 0 C--N 1.31 -1.151 0 O-C-N 121.967 -0.458 . . . . 0.0 111.872 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -71.31 -63.75 1.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.351 0.66 . . . . 0.0 112.397 -173.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 m -149.45 -179.12 6.83 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.438 ' N ' ' HA ' ' A' ' 21' ' ' ASP . . . -151.74 146.1 14.52 Favored Glycine 0 N--CA 1.422 -2.248 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 176.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.51 ' HA ' HG23 ' A' ' 17' ' ' THR . 41.8 mtm180 -147.97 156.92 43.2 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.863 0.84 . . . . 0.0 112.219 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.9 t -90.61 130.54 36.62 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 113.907 -1.497 . . . . 0.0 107.035 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.641 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 56.0 mtp180 -115.32 172.62 6.97 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.377 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.24 -14.83 28.82 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -174.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' OD2' ' HB2' ' A' ' 40' ' ' ARG . 4.4 p-10 -89.37 7.85 33.68 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 123.096 0.558 . . . . 0.0 111.68 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 66.55 20.16 10.83 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.06 1.344 . . . . 0.0 112.754 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 21.8 mmm180 -115.75 155.3 28.05 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.234 0.54 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -86.9 121.55 29.53 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.632 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.641 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 55.5 m95 -110.83 128.27 55.71 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.2 m -98.27 130.46 44.97 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -88.46 149.59 23.59 Favored 'General case' 0 N--CA 1.407 -2.602 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HG3' ' HB2' ' A' ' 3' ' ' CYS . 2.0 ptp180 -140.1 142.59 36.07 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -71.9 138.54 48.23 Favored 'General case' 0 N--CA 1.414 -2.242 0 CA-C-O 121.512 0.672 . . . . 0.0 112.082 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 C--N 1.286 -2.153 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 176.886 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 N--CA 1.43 -1.473 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -145.42 131.8 19.63 Favored 'General case' 0 N--CA 1.416 -2.133 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -147.82 164.64 33.02 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.498 ' H ' HD12 ' A' ' 6' ' ' LEU . 4.9 mp -74.54 145.22 43.63 Favored 'General case' 0 N--CA 1.383 -3.82 0 C-N-CA 122.633 0.373 . . . . 0.0 110.194 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.53 118.91 10.81 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -75.8 -23.48 55.86 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.347 -172.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 p -106.31 5.8 29.99 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 54.4 t80 -94.18 103.94 15.97 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 174.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -105.01 111.83 24.75 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.748 -171.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.45 -166.11 15.99 Favored Glycine 0 N--CA 1.432 -1.628 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.919 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -81.13 147.42 16.42 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 123.317 2.678 . . . . 0.0 112.24 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.508 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 51.7 t -83.13 128.55 34.59 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.114 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -106.47 -31.58 8.48 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.2 m -152.52 136.63 16.49 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 121.738 -0.601 . . . . 0.0 111.444 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.498 HG23 ' HA ' ' A' ' 34' ' ' ARG . 26.3 m -58.25 -44.81 88.5 Favored 'General case' 0 C--O 1.208 -1.097 0 C-N-CA 124.096 0.958 . . . . 0.0 111.001 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.83 -30.3 69.22 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.877 -0.201 . . . . 0.0 112.847 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -78.56 -42.91 27.93 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -59.6 -50.53 73.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.344 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 17.8 t70 -54.65 -49.35 70.77 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 124.415 1.086 . . . . 0.0 110.446 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.2 -46.27 83.02 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 123.676 0.61 . . . . 0.0 111.003 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -60.65 -47.35 86.63 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.701 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -65.46 -34.99 79.57 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.294 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 70.8 mmtt -66.66 -68.84 0.34 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.754 0.788 . . . . 0.0 110.973 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.27 -47.17 45.18 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.738 -1.119 . . . . 0.0 113.267 -171.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -85.75 -49.2 8.13 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.226 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -94.57 -0.71 54.32 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 119.362 -0.935 . . . . 0.0 113.169 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 56.08 36.37 27.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.176 0.99 . . . . 0.0 113.088 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -107.57 -172.8 2.14 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.779 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 2.1 tmt_? -73.73 -57.93 3.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.678 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 m -153.56 -178.29 6.91 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.9 140.29 7.95 Favored Glycine 0 N--CA 1.426 -1.988 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.498 ' HA ' HG23 ' A' ' 17' ' ' THR . 77.0 mtm180 -130.91 149.18 52.66 Favored 'General case' 0 CA--C 1.457 -2.608 0 CA-C-O 122.538 1.161 . . . . 0.0 113.031 -178.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 t -94.19 96.82 9.85 Favored 'General case' 0 N--CA 1.401 -2.876 0 CA-C-N 112.848 -1.978 . . . . 0.0 107.483 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 57.5 mtp180 -87.18 161.03 18.29 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.731 -176.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -75.32 76.14 2.42 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.187 0.994 . . . . 0.0 108.906 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -163.14 9.17 0.05 Allowed 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 113.361 -1.745 . . . . 0.0 108.28 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 56.21 19.01 3.59 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 124.268 1.027 . . . . 0.0 112.93 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -125.48 145.81 49.92 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 121.698 0.761 . . . . 0.0 112.208 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.5 t -82.8 121.72 27.27 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 113.762 -1.563 . . . . 0.0 108.405 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 54.3 m95 -113.42 115.96 28.89 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.22 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.0 m -82.78 136.49 34.66 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 t -125.02 148.65 48.38 Favored 'General case' 0 N--CA 1.407 -2.62 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 12.9 ptm180 -149.44 160.08 43.75 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -76.97 143.86 39.15 Favored 'General case' 0 N--CA 1.391 -3.378 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.294 -1.807 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 177.036 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 N--CA 1.428 -1.565 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.511 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 39.6 tt0 -102.69 113.05 26.12 Favored 'General case' 0 C--N 1.283 -2.307 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -137.39 152.74 49.99 Favored 'General case' 0 CA--C 1.47 -2.109 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.2 mt -52.2 139.93 22.52 Favored 'General case' 0 N--CA 1.424 -1.773 0 O-C-N 124.802 1.314 . . . . 0.0 112.062 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.55 148.28 20.02 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.294 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -85.97 -36.99 19.48 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.892 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 m -116.86 22.93 12.29 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.748 0.785 . . . . 0.0 111.089 -173.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -104.22 127.62 51.86 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -143.22 110.59 5.77 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.45 -177.71 21.47 Favored Glycine 0 C--N 1.292 -1.91 0 N-CA-C 108.926 -1.67 . . . . 0.0 108.926 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -85.93 154.49 9.94 Favored 'Trans proline' 0 N--CA 1.435 -1.918 0 CA-C-N 119.392 1.596 . . . . 0.0 111.474 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 t -112.44 160.51 17.69 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.88 -61.0 0.68 Allowed 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.527 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 24.6 m -97.83 132.88 43.04 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.018 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.543 HG23 ' HA ' ' A' ' 34' ' ' ARG . 86.5 m -56.2 -41.93 76.36 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.663 0.785 . . . . 0.0 112.005 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.02 -21.38 65.69 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.179 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.527 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 12.4 m -73.46 -35.55 65.75 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -178.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -71.12 -39.46 72.02 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.001 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 23.8 t70 -62.23 -42.06 98.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.451 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -54.64 -50.66 67.6 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.821 173.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -60.35 -51.73 68.27 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.953 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.9 m -65.9 -35.5 80.79 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.841 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 8.1 mmtp -82.36 -52.86 6.51 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -78.09 -39.61 40.94 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -175.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -91.35 -50.02 6.04 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.794 -0.762 . . . . 0.0 111.957 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.21 -9.55 41.84 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.422 -174.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 14.4 t-80 58.07 37.59 26.5 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.64 1.176 . . . . 0.0 110.957 175.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.6 mt -98.36 -170.84 2.02 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.245 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -69.98 -57.22 5.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.031 0.443 . . . . 0.0 111.995 -171.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.0 m -160.23 -179.08 7.43 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.94 147.51 18.03 Favored Glycine 0 N--CA 1.427 -1.939 0 O-C-N 123.833 0.708 . . . . 0.0 111.388 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.543 ' HA ' HG23 ' A' ' 17' ' ' THR . 54.6 mtm180 -137.08 160.22 39.6 Favored 'General case' 0 CA--C 1.473 -2.003 0 CA-C-O 121.84 0.829 . . . . 0.0 111.593 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.538 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 14.0 t -108.37 108.59 19.62 Favored 'General case' 0 C--N 1.268 -2.945 0 CA-C-N 114.254 -1.339 . . . . 0.0 108.154 -177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.691 ' HB2' ' CD1' ' A' ' 42' ' ' TRP . 44.5 mtp180 -120.6 178.45 4.68 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 62.77 12.28 5.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.798 0.839 . . . . 0.0 112.138 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.1 t70 77.27 -3.83 2.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.26 1.824 . . . . 0.0 111.601 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -171.76 15.08 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -118.4 142.75 47.23 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 119.5 1.045 . . . . 0.0 111.523 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.2 t -91.83 120.08 32.21 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.18 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.691 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 52.4 m95 -111.84 116.87 31.39 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.796 179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -96.19 129.56 43.47 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 8.6 m -90.89 136.36 33.12 Favored 'General case' 0 N--CA 1.405 -2.724 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -141.0 142.99 34.19 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -69.38 123.41 21.15 Favored 'General case' 0 N--CA 1.411 -2.376 0 CA-C-O 121.327 0.584 . . . . 0.0 109.595 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.279 -2.492 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.075 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.423 -1.785 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.409 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 30.9 tt0 -131.74 126.2 33.87 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -174.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -138.86 165.82 26.05 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.85 142.43 58.44 Favored 'General case' 0 N--CA 1.403 -2.805 0 O-C-N 123.826 0.704 . . . . 0.0 111.84 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 10' ' ' TYR . . . -63.72 121.68 14.55 Favored 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 174.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -75.04 -23.56 58.15 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.967 -174.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 p -106.35 15.27 26.3 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.786 -0.766 . . . . 0.0 112.461 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.544 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 45.6 t80 -124.26 120.02 31.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -119.32 173.11 7.15 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.18 -165.71 52.18 Favored Glycine 0 N--CA 1.434 -1.474 0 O-C-N 123.495 0.497 . . . . 0.0 112.409 177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -74.19 145.87 35.47 Favored 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 122.522 2.148 . . . . 0.0 111.538 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.544 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 27.8 t -81.38 133.79 35.47 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.265 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -84.72 -59.79 2.25 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.083 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 p -149.44 163.26 38.26 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 120.708 0.29 . . . . 0.0 111.04 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.494 HG23 ' HA ' ' A' ' 34' ' ' ARG . 30.6 m -63.5 -33.83 76.44 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 172.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.18 -43.33 95.41 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 115.657 -0.702 . . . . 0.0 113.029 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 p -81.15 -32.94 33.45 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 117.27 0.535 . . . . 0.0 110.802 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.58 -46.63 84.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.557 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -62.37 -43.98 97.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.63 0.772 . . . . 0.0 110.135 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.41 -52.01 63.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.668 0.787 . . . . 0.0 109.876 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -60.91 -51.16 70.45 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.96 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.1 m -65.05 -34.31 78.11 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.46 -48.96 12.05 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.45 -46.92 24.85 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -90.1 -49.01 6.82 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.47 -6.22 50.28 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.012 -1.075 . . . . 0.0 112.504 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.7 m80 56.06 33.5 22.01 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.758 1.223 . . . . 0.0 113.086 174.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.4 mt -100.81 -173.86 2.49 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HA ' ' HE ' ' A' ' 31' ' ' ARG . 1.1 tpm_? -60.57 -60.44 3.81 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.744 0.818 . . . . 0.0 111.664 -172.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 m -159.03 -178.94 7.6 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.63 140.16 9.65 Favored Glycine 0 C--N 1.286 -2.22 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.494 ' HA ' HG23 ' A' ' 17' ' ' THR . 23.9 mtm180 -132.56 148.56 52.37 Favored 'General case' 0 CA--C 1.469 -2.156 0 CA-C-O 122.511 1.148 . . . . 0.0 113.443 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.2 t -99.71 117.48 34.15 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 113.118 -1.856 . . . . 0.0 107.753 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -101.77 -172.07 2.09 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.648 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.73 -15.29 60.3 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.359 0.6 . . . . 0.0 111.587 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.3 -3.97 56.3 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.762 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 51.57 51.97 15.63 Favored 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 125.029 1.332 . . . . 0.0 114.208 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -133.82 160.29 38.08 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.0 t -84.78 122.82 29.67 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 123.35 0.407 . . . . 0.0 109.92 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.409 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 52.9 m95 -111.16 124.81 52.95 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.2 m -94.97 129.32 42.07 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.8 m -90.37 133.76 34.77 Favored 'General case' 0 N--CA 1.403 -2.788 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -133.03 142.9 49.04 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.255 173.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -79.42 128.94 33.98 Favored 'General case' 0 N--CA 1.411 -2.412 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.077 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.279 -2.496 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.508 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.435 -1.198 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 30.4 tt0 -116.03 135.74 53.67 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -140.11 167.81 21.27 Favored 'General case' 0 CA--C 1.471 -2.067 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.1 142.77 41.6 Favored 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.408 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.55 134.5 55.64 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 124.013 0.82 . . . . 0.0 109.557 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -81.18 -44.44 17.84 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.046 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 m -86.89 -11.98 49.15 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.753 0.787 . . . . 0.0 111.776 -171.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 41.8 t80 -87.47 103.32 15.4 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -178.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.54 122.24 46.25 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -178.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.91 -175.44 15.88 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.671 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.99 152.85 18.99 Favored 'Trans proline' 0 N--CA 1.44 -1.626 0 C-N-CA 122.91 2.407 . . . . 0.0 112.766 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 32.1 t -106.43 141.75 37.22 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 114.32 -1.309 . . . . 0.0 107.609 176.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.56 -22.33 7.57 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.025 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -153.99 138.94 17.22 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 120.856 0.36 . . . . 0.0 111.711 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.506 HG23 ' HA ' ' A' ' 34' ' ' ARG . 19.7 m -51.83 -39.0 58.09 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.989 1.316 . . . . 0.0 113.357 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.41 66.37 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 121.988 -0.149 . . . . 0.0 113.358 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.0 m -76.04 -26.74 56.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.599 0.714 . . . . 0.0 109.294 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.2 t -82.45 -48.88 10.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.429 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.98 -49.82 75.5 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 123.832 0.853 . . . . 0.0 112.518 -176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.44 -42.14 95.49 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -61.56 -50.04 74.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.494 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.1 m -63.31 -34.62 78.1 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.851 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -78.72 -56.11 4.66 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 120.788 0.327 . . . . 0.0 111.807 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -67.4 -54.24 22.16 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 123.707 0.803 . . . . 0.0 112.331 -174.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -93.8 -41.46 9.64 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.541 -0.464 . . . . 0.0 112.048 -171.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.251 11.5 mt-10 -95.59 -7.85 36.63 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 118.745 -1.182 . . . . 0.0 113.185 -175.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.3 m80 61.14 29.93 19.1 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -100.66 -170.37 1.85 Allowed 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.56 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 37.9 ttt180 -63.72 -65.68 0.65 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.364 0.602 . . . . 0.0 112.297 -173.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.7 m -155.91 -179.04 7.75 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 -175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.3 142.22 11.16 Favored Glycine 0 C--N 1.288 -2.111 0 N-CA-C 110.239 -1.145 . . . . 0.0 110.239 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.506 ' HA ' HG23 ' A' ' 17' ' ' THR . 60.0 mtm180 -134.09 148.79 51.07 Favored 'General case' 0 CA--C 1.465 -2.291 0 CA-C-O 122.413 1.101 . . . . 0.0 112.703 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.0 t -101.84 116.48 32.8 Favored 'General case' 0 C--N 1.272 -2.765 0 CA-C-N 113.422 -1.717 . . . . 0.0 106.866 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.662 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 69.7 mtp180 -105.46 -179.78 4.04 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.458 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.9 -15.26 61.78 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.204 0.602 . . . . 0.0 112.163 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.72 -21.71 66.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.833 0.853 . . . . 0.0 109.409 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 65.61 32.25 9.34 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.727 1.251 . . . . 0.0 107.673 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -121.99 150.72 41.67 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.769 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.9 t -83.15 120.45 25.81 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.605 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.662 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 72.1 m95 -109.59 117.61 34.4 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.068 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 70.3 m -93.2 131.0 38.69 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -96.92 144.28 26.99 Favored 'General case' 0 N--CA 1.406 -2.655 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -133.38 154.21 50.94 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.553 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 94.8 m-20 -83.76 126.94 33.42 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.283 -2.303 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.803 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 N--CA 1.431 -1.411 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 31.5 tt0 -121.71 139.41 53.61 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -171.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -146.46 163.98 33.95 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.433 HD13 ' NH1' ' A' ' 40' ' ' ARG . 72.2 mt -69.03 138.63 54.61 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 124.448 1.099 . . . . 0.0 110.947 -177.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.62 106.91 4.22 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -80.93 -6.54 58.82 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -105.26 7.92 33.7 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 122.211 1.005 . . . . 0.0 108.516 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -111.02 120.71 43.29 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -121.84 137.71 54.67 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.477 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.16 161.17 14.59 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.594 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.31 142.44 79.35 Favored 'Trans proline' 0 C--O 1.246 0.904 0 C-N-CA 122.711 2.274 . . . . 0.0 112.029 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.54 137.53 46.34 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.547 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -129.78 1.7 4.9 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.0 m -146.96 128.65 15.2 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.438 -0.789 . . . . 0.0 111.912 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 34' ' ' ARG . 26.6 m -59.7 -46.57 88.7 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.41 1.084 . . . . 0.0 111.254 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.21 -26.84 71.78 Favored Glycine 0 C--O 1.221 -0.701 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.7 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -73.87 -29.61 62.19 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.781 0.801 . . . . 0.0 109.09 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.54 -43.09 27.57 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.586 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.11 -46.78 84.99 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.939 0.496 . . . . 0.0 110.242 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -49.43 -49.65 44.16 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.535 1.134 . . . . 0.0 110.437 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.35 -52.91 42.24 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.716 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.23 -36.72 82.86 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.72 -56.62 4.44 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 121.197 0.522 . . . . 0.0 112.139 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -77.41 -40.17 44.53 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -172.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -93.02 -45.3 7.99 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.108 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -99.41 -1.22 39.22 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.14 -1.024 . . . . 0.0 113.719 -173.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.6 m80 57.8 30.68 19.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.214 1.006 . . . . 0.0 112.754 172.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.62 -171.07 1.99 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 2.3 tmt_? -72.65 -63.51 1.15 Allowed 'General case' 0 C--N 1.309 -1.168 0 O-C-N 123.187 0.305 . . . . 0.0 111.146 -171.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.0 m -147.39 -176.84 5.39 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.23 139.56 7.56 Favored Glycine 0 N--CA 1.422 -2.292 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HA ' HG23 ' A' ' 17' ' ' THR . 40.2 mtm180 -131.47 153.78 49.4 Favored 'General case' 0 CA--C 1.455 -2.707 0 CA-C-O 122.823 1.297 . . . . 0.0 111.969 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 10.1 t -107.78 108.36 19.53 Favored 'General case' 0 C--N 1.254 -3.56 0 CA-C-N 113.03 -1.896 . . . . 0.0 107.266 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.664 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 22.2 mtp180 -94.47 175.91 6.5 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.022 -174.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -76.55 1.42 16.76 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 122.384 1.088 . . . . 0.0 109.811 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.43 -10.58 59.75 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 113.821 -1.536 . . . . 0.0 108.743 174.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 68.93 18.53 8.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.827 1.251 . . . . 0.0 111.742 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.433 ' NH1' HD13 ' A' ' 6' ' ' LEU . 60.3 mtp180 -123.55 160.22 27.48 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 177.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.55 123.58 29.9 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.222 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.664 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 63.4 m95 -114.0 122.43 46.91 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.39 135.02 33.95 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.9 140.48 37.64 Favored 'General case' 0 N--CA 1.408 -2.534 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 37.7 ptt180 -140.38 152.98 46.19 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -78.83 132.64 36.93 Favored 'General case' 0 N--CA 1.419 -1.995 0 C-N-CA 123.381 0.672 . . . . 0.0 111.47 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.293 -1.864 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.518 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.0 tt0 -110.23 133.39 53.28 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.683 0.278 . . . . 0.0 110.266 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -150.01 161.3 42.61 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.7 mt -57.12 146.87 26.29 Favored 'General case' 0 C--N 1.277 -2.57 0 C-N-CA 126.236 1.814 . . . . 0.0 113.176 -175.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.31 147.16 51.53 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -98.14 -30.72 12.49 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.22 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -107.61 9.06 29.43 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -87.16 119.51 27.47 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -115.89 142.5 46.7 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.672 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.31 148.82 22.17 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.4 128.41 26.03 Favored 'Trans proline' 0 C--O 1.245 0.862 0 C-N-CA 122.314 2.009 . . . . 0.0 110.987 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.62 133.72 34.1 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.692 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -133.81 3.72 3.52 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.087 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -144.06 119.32 10.18 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.577 -0.702 . . . . 0.0 111.941 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.549 HG23 ' HA ' ' A' ' 34' ' ' ARG . 25.5 m -59.97 -36.02 76.23 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 122.694 0.398 . . . . 0.0 110.998 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.75 -26.76 69.0 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 121.466 -0.397 . . . . 0.0 112.441 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -83.95 -38.59 20.81 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.8 t -65.75 -52.13 53.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.163 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.95 -43.24 77.3 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 124.001 0.92 . . . . 0.0 110.867 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.34 -48.55 78.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.454 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.78 -46.48 81.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.466 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.83 -27.78 69.11 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.727 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -88.21 -56.77 3.18 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -67.46 -46.62 72.5 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.018 0.437 . . . . 0.0 112.13 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -92.38 -53.43 4.22 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.288 -173.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -88.93 -17.4 29.62 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -172.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 57.32 45.1 20.7 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -105.78 -169.08 1.53 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.537 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 4.5 tpm_? -60.38 -61.93 2.23 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 122.947 0.499 . . . . 0.0 112.2 -174.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.0 m -163.36 -174.49 3.8 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.54 138.36 7.14 Favored Glycine 0 N--CA 1.419 -2.484 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.549 ' HA ' HG23 ' A' ' 17' ' ' THR . 77.6 mtm180 -125.82 145.24 50.31 Favored 'General case' 0 CA--C 1.462 -2.427 0 CA-C-O 122.277 1.037 . . . . 0.0 112.05 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.4 t -104.32 111.37 23.98 Favored 'General case' 0 C--N 1.268 -2.961 0 CA-C-N 113.762 -1.563 . . . . 0.0 107.514 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -104.5 179.55 4.24 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.606 -173.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.0 -4.51 4.69 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 124.792 1.237 . . . . 0.0 111.767 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.85 -15.34 61.16 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.6 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 68.7 19.76 8.41 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.266 1.426 . . . . 0.0 110.456 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -125.58 159.49 31.99 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.511 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.0 t -86.73 125.08 33.66 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 124.187 0.929 . . . . 0.0 109.47 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 46.5 m95 -113.39 110.68 20.72 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 123.997 0.919 . . . . 0.0 109.734 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.4 m -86.74 133.23 33.68 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 8.8 m -92.56 146.19 23.86 Favored 'General case' 0 N--CA 1.404 -2.758 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -135.55 159.01 42.94 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.499 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 81.8 m-20 -69.47 136.75 51.92 Favored 'General case' 0 N--CA 1.409 -2.477 0 C-N-CA 123.361 0.664 . . . . 0.0 109.321 175.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.29 -2.001 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 176.689 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m . . . . . 0 N--CA 1.435 -1.205 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.54 146.02 51.58 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -154.36 164.65 38.28 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.62 145.11 53.21 Favored 'General case' 0 N--CA 1.413 -2.322 0 C-N-CA 124.494 1.118 . . . . 0.0 111.902 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.9 107.99 6.45 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 172.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.79 -4.87 53.95 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -170.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.1 p -116.3 9.48 14.52 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.123 173.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -101.81 89.75 3.77 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -95.39 132.7 40.15 Favored 'General case' 0 C--N 1.275 -2.662 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.761 -175.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.57 -178.47 18.07 Favored Glycine 0 N--CA 1.426 -2.007 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.77 133.66 11.56 Favored 'Trans proline' 0 N--CA 1.445 -1.344 0 C-N-CA 122.533 2.155 . . . . 0.0 111.67 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t -94.38 145.29 24.86 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -127.12 -50.15 1.44 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -112.59 138.58 49.16 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.576 HG23 ' HA ' ' A' ' 34' ' ' ARG . 23.7 m -60.03 -35.94 76.19 Favored 'General case' 0 C--O 1.211 -0.973 0 C-N-CA 123.555 0.742 . . . . 0.0 111.988 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.96 -32.73 83.15 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.166 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 m -74.98 -36.28 62.04 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.92 -48.86 62.25 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.931 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.92 -48.88 74.89 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.151 1.38 . . . . 0.0 110.999 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.45 -49.55 76.9 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 123.54 0.525 . . . . 0.0 110.72 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -60.06 -47.82 84.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.692 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.82 -36.22 83.18 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -76.23 -54.83 6.22 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-O 120.466 0.174 . . . . 0.0 111.404 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -64.77 -52.56 56.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.653 0.781 . . . . 0.0 112.435 -175.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 10.5 tmtt? -95.12 -50.27 5.14 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.606 -172.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.25 22.3 mt-10 -87.28 -6.0 58.7 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.094 -1.043 . . . . 0.0 112.637 -170.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.2 m80 62.89 26.33 15.5 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 125.279 1.432 . . . . 0.0 112.089 171.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD12 ' CB ' ' A' ' 43' ' ' CYS . 85.0 mt -97.34 -171.9 2.3 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.672 -177.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -68.69 -56.08 9.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.657 0.742 . . . . 0.0 111.019 -171.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 m -160.85 -175.44 4.94 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.05 138.36 7.7 Favored Glycine 0 N--CA 1.42 -2.42 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.576 ' HA ' HG23 ' A' ' 17' ' ' THR . 24.9 mtm180 -124.02 142.48 51.14 Favored 'General case' 0 CA--C 1.452 -2.813 0 CA-C-O 122.481 1.134 . . . . 0.0 111.943 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.1 t -96.5 125.25 40.85 Favored 'General case' 0 C--N 1.261 -3.242 0 CA-C-N 113.484 -1.689 . . . . 0.0 106.972 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.67 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.5 mtp180 -108.64 161.8 14.74 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.728 -177.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.38 -10.16 30.98 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.591 1.156 . . . . 0.0 113.643 -169.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -88.37 11.45 16.78 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.936 0.874 . . . . 0.0 110.311 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 71.03 21.97 4.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.706 1.202 . . . . 0.0 112.765 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -121.63 148.89 43.96 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.445 -0.902 . . . . 0.0 111.893 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.6 t -83.67 132.14 34.89 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.328 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.67 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 49.9 m95 -121.32 122.37 39.71 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.413 ' CB ' HD12 ' A' ' 30' ' ' LEU . 84.2 m -89.54 129.69 35.98 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 m -93.29 135.25 34.69 Favored 'General case' 0 N--CA 1.411 -2.402 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -137.31 146.97 45.28 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.644 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -63.27 127.28 30.58 Favored 'General case' 0 N--CA 1.414 -2.228 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 C--N 1.283 -2.313 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -170.175 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 N--CA 1.43 -1.462 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.43 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 26.4 tt0 -139.04 129.64 25.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -139.06 160.73 39.09 Favored 'General case' 0 CA--C 1.478 -1.79 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.68 139.35 58.31 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.426 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 10' ' ' TYR . . . -58.51 128.03 35.14 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 123.788 0.68 . . . . 0.0 109.658 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -74.79 -30.45 61.44 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.258 -172.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 p -113.43 7.88 17.71 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.452 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 47.7 t80 -98.06 106.42 18.71 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -110.13 130.57 55.52 Favored 'General case' 0 C--N 1.278 -2.502 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -175.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.83 179.11 22.17 Favored Glycine 0 N--CA 1.431 -1.664 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.561 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -66.73 151.78 81.89 Favored 'Trans proline' 0 C--O 1.247 0.934 0 C-N-CA 123.223 2.616 . . . . 0.0 112.662 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 34.7 t -121.03 145.07 48.17 Favored 'General case' 0 C--N 1.289 -2.034 0 C-N-CA 125.092 1.357 . . . . 0.0 108.614 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -124.62 -39.94 2.25 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 123.26 0.35 . . . . 0.0 110.896 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.2 p -114.04 129.41 56.61 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -175.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.614 HG23 ' HA ' ' A' ' 34' ' ' ARG . 20.0 m -62.48 -33.96 75.89 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.096 176.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.95 -36.66 93.18 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.078 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 m -76.31 -33.99 59.05 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.454 0.645 . . . . 0.0 109.471 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.6 t -66.13 -46.68 76.67 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.086 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.13 -43.18 99.12 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.998 0.428 . . . . 0.0 110.548 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.4 -44.29 76.04 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.913 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -66.48 -56.58 10.24 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.458 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.32 -36.82 81.17 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -71.95 -55.53 7.3 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -82.8 -52.71 6.49 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 121.892 -0.505 . . . . 0.0 112.073 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -71.4 -40.39 70.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.794 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -107.69 -5.46 17.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -175.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 59.17 33.14 22.6 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.879 0.872 . . . . 0.0 113.015 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.71 -172.22 2.11 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.728 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -69.17 -62.88 1.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.928 0.394 . . . . 0.0 110.759 -172.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 m -152.54 -176.64 5.8 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.38 140.75 8.99 Favored Glycine 0 N--CA 1.421 -2.316 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.614 ' HA ' HG23 ' A' ' 17' ' ' THR . 73.8 mtm180 -134.03 145.41 49.41 Favored 'General case' 0 CA--C 1.472 -2.032 0 CA-C-O 122.135 0.969 . . . . 0.0 112.035 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.0 t -106.39 98.81 8.44 Favored 'General case' 0 C--N 1.274 -2.711 0 CA-C-N 114.267 -1.333 . . . . 0.0 109.153 -176.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 24.6 mtp180 -71.39 171.33 11.42 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.99 -176.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.7 -13.84 60.08 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.393 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.19 -7.2 34.28 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 125.644 1.578 . . . . 0.0 110.646 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 65.19 35.8 7.57 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 122.106 0.955 . . . . 0.0 108.564 -175.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -132.63 143.5 49.71 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.01 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.9 t -85.29 125.25 32.76 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.54 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 53.5 m95 -116.55 126.55 53.48 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 124.452 1.101 . . . . 0.0 108.709 178.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.3 m -97.87 133.52 42.25 Favored 'General case' 0 C--N 1.284 -2.245 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 m -90.67 140.87 29.36 Favored 'General case' 0 N--CA 1.414 -2.248 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -147.66 143.06 27.38 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.008 0.432 . . . . 0.0 111.416 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -72.27 130.59 41.14 Favored 'General case' 0 N--CA 1.411 -2.384 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.286 -2.181 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.362 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.7 m . . . . . 0 N--CA 1.411 -2.389 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.546 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.6 tt0 -146.39 134.89 22.04 Favored 'General case' 0 N--CA 1.41 -2.456 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -173.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -142.74 167.15 22.76 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.56 144.61 54.51 Favored 'General case' 0 N--CA 1.401 -2.888 0 C-N-CA 123.289 0.635 . . . . 0.0 111.829 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 115.71 8.82 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -75.64 -22.52 56.71 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -171.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.462 HG23 ' CE1' ' A' ' 23' ' ' HIS . 10.1 t -111.95 14.64 20.89 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 119.579 -0.848 . . . . 0.0 111.967 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -98.9 102.08 13.68 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -103.58 127.99 50.9 Favored 'General case' 0 C--N 1.278 -2.503 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.7 153.84 8.55 Favored Glycine 0 N--CA 1.422 -2.271 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -61.56 131.24 34.9 Favored 'Trans proline' 0 C--O 1.241 0.67 0 C-N-CA 122.541 2.161 . . . . 0.0 109.966 174.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.4 t -102.66 151.77 21.98 Favored 'General case' 0 C--N 1.286 -2.195 0 C-N-CA 123.751 0.82 . . . . 0.0 109.341 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -132.5 -38.22 1.04 Allowed 'General case' 0 C--N 1.315 -0.899 0 O-C-N 123.514 0.509 . . . . 0.0 112.087 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.2 m -112.3 138.0 49.64 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 121.745 0.783 . . . . 0.0 113.109 -173.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' HA ' ' A' ' 34' ' ' ARG . 39.1 m -64.53 -44.88 89.43 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 123.809 0.843 . . . . 0.0 112.236 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.33 -37.22 93.68 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.531 -0.366 . . . . 0.0 113.516 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 p -72.98 -32.13 64.99 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.385 0.612 . . . . 0.0 110.085 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -69.21 -48.13 62.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.978 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.98 -48.21 78.93 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 124.396 1.078 . . . . 0.0 111.116 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.88 -47.01 60.65 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.154 0.982 . . . . 0.0 110.509 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.462 ' CE1' HG23 ' A' ' 9' ' ' THR . 59.0 t60 -65.95 -47.88 73.19 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.329 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.8 m -64.99 -32.34 74.01 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -78.66 -56.62 4.28 Favored 'General case' 0 N--CA 1.42 -1.97 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -71.92 -42.3 66.87 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -174.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -96.77 -48.04 5.63 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.012 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -93.61 -4.65 50.41 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.424 -0.911 . . . . 0.0 112.753 -173.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.7 m80 55.11 34.43 22.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.805 1.242 . . . . 0.0 113.85 172.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.436 HD12 ' CB ' ' A' ' 43' ' ' CYS . 78.9 mt -101.42 -174.3 2.57 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -69.35 -56.51 7.28 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.052 0.454 . . . . 0.0 112.186 -170.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 m -151.63 178.8 8.97 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.22 152.19 23.49 Favored Glycine 0 N--CA 1.417 -2.575 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.556 ' HA ' HG23 ' A' ' 17' ' ' THR . 64.1 mtm180 -136.93 145.34 44.14 Favored 'General case' 0 CA--C 1.447 -2.984 0 CA-C-O 122.146 0.974 . . . . 0.0 111.737 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 t -104.34 92.5 4.36 Favored 'General case' 0 C--N 1.255 -3.503 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 59.8 mtp180 -82.15 178.02 8.49 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 114.524 -1.216 . . . . 0.0 112.637 -171.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -70.89 11.31 0.4 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.184 0.993 . . . . 0.0 113.264 -173.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.43 -7.17 48.34 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 66.44 30.12 8.88 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 122.451 1.12 . . . . 0.0 108.743 -173.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -130.71 151.61 50.97 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.26 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.0 t -85.67 127.36 34.47 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.418 -1.264 . . . . 0.0 108.839 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.546 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 61.6 m95 -115.65 136.3 53.2 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.436 ' CB ' HD12 ' A' ' 30' ' ' LEU . 63.1 m -108.87 140.15 42.72 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.1 t -121.44 152.36 39.17 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.479 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -143.51 142.43 31.14 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.54 142.04 58.56 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.427 -1.588 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 178.411 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.9 m . . . . . 0 N--CA 1.444 -0.76 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.405 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.4 tt0 -130.03 136.04 48.95 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.612 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -141.32 155.44 45.96 Favored 'General case' 0 CA--C 1.482 -1.67 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.789 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.24 140.48 44.57 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 124.067 0.947 . . . . 0.0 111.405 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -78.85 93.26 4.98 Favored 'General case' 0 N--CA 1.413 -2.286 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.27 -13.61 61.95 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.576 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -97.06 4.66 51.27 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-O 122.596 1.188 . . . . 0.0 109.127 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -111.49 112.96 25.06 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -122.56 131.17 53.71 Favored 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.03 160.87 10.08 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.42 119.54 6.56 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.365 2.043 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.79 122.54 24.21 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -97.27 -41.7 8.15 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.854 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.6 p -135.52 154.27 51.45 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 120.793 0.33 . . . . 0.0 111.489 -176.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.48 HG23 ' HA ' ' A' ' 34' ' ' ARG . 19.4 m -61.77 -31.34 71.53 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.202 173.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.08 -31.61 81.39 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.745 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 t -76.0 -26.49 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.014 0.912 . . . . 0.0 108.818 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -84.87 -50.76 7.26 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.79 -177.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.74 -45.69 81.81 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 123.725 0.81 . . . . 0.0 111.577 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.21 -48.13 81.31 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.06 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -59.19 -49.15 78.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.594 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.5 m -63.69 -31.07 72.12 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -84.13 -53.08 5.77 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -64.72 -50.52 66.61 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.969 0.908 . . . . 0.0 111.662 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -96.38 -51.33 4.41 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -174.307 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -88.28 -12.71 42.79 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 119.225 -0.99 . . . . 0.0 112.817 -171.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.1 m80 59.44 36.88 23.24 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.566 1.146 . . . . 0.0 112.72 175.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -102.15 -170.64 1.84 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.48 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -63.46 -62.37 1.72 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.577 0.703 . . . . 0.0 111.79 -172.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 m -157.91 -176.41 5.91 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 -177.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.11 139.05 7.87 Favored Glycine 0 N--CA 1.421 -2.331 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.48 ' HA ' HG23 ' A' ' 17' ' ' THR . 70.9 mtm180 -127.53 145.99 50.67 Favored 'General case' 0 CA--C 1.465 -2.3 0 CA-C-O 122.165 0.983 . . . . 0.0 112.057 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.6 t -92.73 121.38 34.07 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 113.622 -1.627 . . . . 0.0 107.413 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 34.6 mtp180 -116.83 174.45 6.08 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.729 -0.789 . . . . 0.0 112.858 -175.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -66.79 1.23 1.93 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.853 1.261 . . . . 0.0 114.403 -173.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.04 -5.34 59.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 69.49 20.71 7.08 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 124.44 1.096 . . . . 0.0 108.705 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -121.5 160.56 23.98 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.479 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -84.05 139.3 32.59 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.894 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 47.1 m95 -125.08 120.75 32.33 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 123.849 0.859 . . . . 0.0 108.98 177.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 81.6 m -91.9 132.31 36.58 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 m -94.95 138.15 33.08 Favored 'General case' 0 N--CA 1.402 -2.856 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -133.31 140.19 47.29 Favored 'General case' 0 C--N 1.282 -2.337 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.91 126.61 30.18 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.272 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.285 -2.232 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.4 m . . . . . 0 N--CA 1.411 -2.395 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.3 tt0 -126.21 131.8 51.89 Favored 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -137.91 161.72 35.91 Favored 'General case' 0 CA--C 1.471 -2.059 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.54 144.32 53.15 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.553 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 120.91 14.47 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -74.91 -31.11 61.47 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.253 -172.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 p -100.66 11.71 38.95 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.518 0.675 . . . . 0.0 112.177 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -110.19 108.55 18.72 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -121.17 98.79 6.15 Favored 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.739 -173.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.5 -179.0 24.74 Favored Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.24 139.13 20.87 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.414 2.076 . . . . 0.0 111.675 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 t -110.72 139.39 46.05 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.084 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -136.13 9.67 3.26 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.323 0.389 . . . . 0.0 110.761 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.7 m -146.22 118.39 8.33 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.081 0.467 . . . . 0.0 111.217 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.587 ' OG1' ' HA ' ' A' ' 34' ' ' ARG . 5.5 t -74.51 -26.11 59.78 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -175.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.5 -34.68 85.07 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.8 t -77.25 -28.73 53.67 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.79 -47.25 60.51 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.7 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.48 -49.41 77.43 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -47.11 -50.45 20.11 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 124.24 0.963 . . . . 0.0 110.36 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -62.43 -51.76 66.25 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.733 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.6 m -66.6 -28.16 68.28 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -77.15 -66.52 0.82 Allowed 'General case' 0 N--CA 1.427 -1.609 0 CA-C-O 121.169 0.509 . . . . 0.0 110.534 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -67.15 -45.74 76.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.204 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -91.21 -42.15 10.59 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -105.1 -3.61 22.89 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -172.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 56.73 35.12 25.73 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.797 1.239 . . . . 0.0 112.956 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -102.72 -176.9 3.23 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.552 -0.718 . . . . 0.0 111.908 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 44' ' ' THR . 17.1 ttp180 -60.73 -57.15 13.89 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 123.928 0.767 . . . . 0.0 111.757 -171.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 m -158.92 178.05 10.5 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.75 140.79 11.04 Favored Glycine 0 C--N 1.282 -2.451 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.587 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 74.8 mtm180 -132.93 141.86 48.58 Favored 'General case' 0 CA--C 1.461 -2.46 0 CA-C-O 122.378 1.085 . . . . 0.0 111.748 178.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 27.0 t -100.22 105.07 16.61 Favored 'General case' 0 C--N 1.254 -3.548 0 CA-C-N 113.465 -1.698 . . . . 0.0 107.237 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.678 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 57.0 mtp180 -84.46 163.53 19.39 Favored 'General case' 0 C--N 1.286 -2.189 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.523 -176.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -75.87 12.44 1.09 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.798 1.285 . . . . 0.0 110.369 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' A' ' 36' ' ' ARG . 35.0 t70 -78.31 -9.85 59.42 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 113.068 -1.878 . . . . 0.0 107.535 170.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 72.84 20.34 3.63 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 125.823 1.649 . . . . 0.0 111.859 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -131.57 159.89 36.89 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.58 121.74 31.29 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.089 -0.96 . . . . 0.0 108.667 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.678 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 63.1 m95 -114.21 119.01 35.59 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.243 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.19 134.26 34.1 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 7.1 t -110.84 152.22 26.93 Favored 'General case' 0 N--CA 1.412 -2.35 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -175.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -152.25 152.69 32.51 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -81.94 139.34 34.66 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.294 -1.828 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.162 179.756 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.6 m . . . . . 0 N--CA 1.415 -2.207 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -133.15 144.81 50.13 Favored 'General case' 0 C--N 1.292 -1.908 0 C-N-CA 119.541 -0.863 . . . . 0.0 109.043 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -159.28 168.44 26.45 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.61 146.46 53.84 Favored 'General case' 0 N--CA 1.403 -2.785 0 C-N-CA 123.744 0.818 . . . . 0.0 111.772 -176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 136.75 58.02 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.793 175.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -76.38 -41.17 48.94 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.31 0.576 . . . . 0.0 111.304 -173.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 p -105.72 12.6 30.8 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -99.33 104.74 16.66 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -98.42 131.68 44.49 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.158 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.43 -177.08 31.9 Favored Glycine 0 C--O 1.25 1.133 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.63 174.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -72.41 146.06 44.1 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.99 2.46 . . . . 0.0 111.906 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.1 t -104.25 142.23 34.89 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.523 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -126.91 -3.4 6.47 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.158 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.2 m -152.73 125.9 8.59 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 121.891 -0.506 . . . . 0.0 112.061 -173.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 34' ' ' ARG . 21.3 m -63.8 -33.22 75.18 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.54 0.736 . . . . 0.0 110.862 176.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.57 -21.74 65.15 Favored Glycine 0 C--O 1.225 -0.461 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.094 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 t -86.02 -42.54 13.89 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.22 -50.09 62.04 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.966 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 14.4 t70 -58.38 -47.12 84.87 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.914 0.388 . . . . 0.0 110.603 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.17 -46.94 72.46 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.34 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -67.42 -51.49 51.06 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.652 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.1 m -64.63 -32.74 74.54 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 5.7 mmtp -81.21 -57.68 3.4 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -81.85 -34.69 29.98 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 1.3 tmtp? -91.35 -52.33 4.85 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.633 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -90.75 -8.99 48.27 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -173.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.488 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 83.5 m-70 60.36 32.36 20.64 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.59 1.156 . . . . 0.0 114.026 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -95.91 -168.03 1.69 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 56.2 ttt180 -65.7 -61.25 2.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.027 0.441 . . . . 0.0 111.877 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.3 m -160.03 -176.32 5.6 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.5 141.21 9.09 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.503 ' HA ' HG23 ' A' ' 17' ' ' THR . 79.8 mtm180 -131.72 146.85 52.39 Favored 'General case' 0 CA--C 1.463 -2.394 0 CA-C-O 122.289 1.042 . . . . 0.0 112.611 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -99.31 107.66 19.99 Favored 'General case' 0 C--N 1.271 -2.82 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -101.87 -177.49 3.43 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.02 -21.04 64.56 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.197 1.399 . . . . 0.0 112.067 -177.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.03 -7.83 53.01 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.097 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 65.43 26.71 11.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.053 1.341 . . . . 0.0 111.717 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -126.03 159.19 33.4 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.763 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.02 119.11 25.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.086 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -110.19 120.16 41.57 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.5 m -92.39 133.02 36.28 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.9 m -89.65 136.59 32.95 Favored 'General case' 0 N--CA 1.409 -2.48 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -134.21 136.25 43.56 Favored 'General case' 0 C--N 1.287 -2.11 0 CA-C-O 121.34 0.591 . . . . 0.0 110.108 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.508 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 92.1 m-20 -74.39 135.22 42.41 Favored 'General case' 0 N--CA 1.405 -2.698 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.118 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.284 -2.259 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.52 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.571 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 18.3 ptpt . . . . . 0 CA--C 1.491 -1.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.4 p -113.0 135.39 53.83 Favored 'General case' 0 N--CA 1.414 -2.228 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.128 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.0 m -117.47 145.11 44.39 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 23.6 tt0 -138.42 133.05 32.32 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.52 -172.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -145.05 165.56 27.88 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.97 145.69 55.59 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 123.688 0.795 . . . . 0.0 112.389 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.18 126.65 30.21 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -75.06 -45.38 41.91 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.024 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -95.91 17.11 15.98 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -103.88 98.86 8.64 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -102.22 108.59 20.01 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.816 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.47 172.51 12.56 Favored Glycine 0 N--CA 1.432 -1.579 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -75.2 154.15 41.36 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.187 1.925 . . . . 0.0 111.327 176.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.6 t -107.65 141.62 38.86 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.48 -19.84 5.75 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.995 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -144.29 138.54 28.0 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.82 -0.55 . . . . 0.0 110.664 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 34' ' ' ARG . 22.8 m -61.07 -37.48 82.82 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.3 -30.04 60.88 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 121.475 -0.393 . . . . 0.0 113.029 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -75.8 -43.73 44.79 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.4 -46.4 70.1 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.814 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 20.9 t70 -63.08 -39.87 96.0 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.83 -176.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 26' ' ' ASN . 21.8 t70 -63.34 -42.64 98.96 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -58.97 -49.61 77.23 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.981 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.9 m -69.32 -36.86 77.4 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 49.0 mttp -77.78 -58.56 3.2 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.385 0.612 . . . . 0.0 112.003 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.522 ' HB3' ' O ' ' A' ' 22' ' ' ASP . 12.8 t30 -72.48 -44.54 62.13 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 124.375 1.07 . . . . 0.0 112.748 -173.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -93.39 -48.04 6.6 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.517 -0.873 . . . . 0.0 112.276 -177.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -93.65 -7.08 44.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 85.6 m-70 53.66 45.74 27.39 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -110.11 -171.89 1.93 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.423 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -65.29 -66.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.926 0.87 . . . . 0.0 111.55 -172.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -144.41 177.02 8.94 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.15 135.8 6.22 Favored Glycine 0 N--CA 1.411 -2.981 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HA ' HG23 ' A' ' 17' ' ' THR . 79.7 mtm180 -128.02 144.48 51.11 Favored 'General case' 0 CA--C 1.457 -2.603 0 CA-C-O 122.442 1.115 . . . . 0.0 112.82 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 6.8 t -97.3 104.33 16.34 Favored 'General case' 0 C--N 1.271 -2.809 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -94.68 178.6 5.53 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 119.467 -0.893 . . . . 0.0 112.954 -171.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.23 -26.4 66.38 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.575 1.15 . . . . 0.0 112.064 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.59 4.37 18.76 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.073 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 69.41 10.01 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 173.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -111.76 165.35 12.13 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.865 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.6 124.05 33.67 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.425 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.438 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 45.6 m95 -116.54 127.64 54.71 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -95.23 132.6 40.02 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.3 m -94.3 139.49 31.0 Favored 'General case' 0 N--CA 1.407 -2.591 0 N-CA-C 105.701 -1.963 . . . . 0.0 105.701 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -138.46 144.68 40.2 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 117.977 0.353 . . . . 0.0 110.097 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -72.72 133.91 44.78 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.6 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.571 ' SG ' ' HG3' ' A' ' 1' ' ' LYS . 5.7 p . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt . . . . . 0 CA--C 1.503 -0.849 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.5 p -122.01 130.83 53.62 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-O 121.434 0.635 . . . . 0.0 111.482 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 89.3 m -124.15 134.58 53.3 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 31.2 tt0 -127.32 141.12 51.78 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.444 -171.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -145.32 159.4 43.09 Favored 'General case' 0 CA--C 1.481 -1.702 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.51 140.49 58.88 Favored 'General case' 0 N--CA 1.414 -2.269 0 C-N-CA 123.572 0.749 . . . . 0.0 110.143 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 10' ' ' TYR . . . -61.04 136.31 58.04 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -82.19 -38.34 24.75 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.795 -173.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.0 p -107.81 8.44 28.75 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -175.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.454 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 2.1 t80 -106.06 126.2 51.91 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 176.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -141.04 129.55 22.6 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.94 175.74 14.35 Favored Glycine 0 N--CA 1.427 -1.945 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.11 108.75 1.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.06 2.507 . . . . 0.0 111.778 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 t -84.85 135.61 34.01 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.079 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -121.5 -33.99 3.53 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.965 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.9 m -115.92 124.98 51.94 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 121.527 0.68 . . . . 0.0 112.385 -173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.602 HG23 ' HA ' ' A' ' 34' ' ' ARG . 18.0 m -59.62 -38.48 81.43 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.416 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.66 -36.53 79.03 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.739 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -70.65 -44.1 67.79 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.35 0.595 . . . . 0.0 109.413 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.75 -47.64 84.29 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.331 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 12.9 t70 -55.99 -52.85 62.72 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.615 1.166 . . . . 0.0 112.175 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.79 -43.05 94.61 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.617 0.573 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -59.73 -50.73 72.71 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.23 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.5 m -64.24 -37.03 86.02 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.666 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.85 -49.32 30.9 Favored 'General case' 0 N--CA 1.425 -1.709 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -81.14 -50.72 9.27 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -173.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -92.16 -35.86 13.62 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.586 -0.846 . . . . 0.0 111.531 -173.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -96.21 -7.75 34.84 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 119.617 -0.833 . . . . 0.0 112.683 -177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 47.45 53.5 10.93 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.861 1.264 . . . . 0.0 111.754 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.8 mt -116.11 -170.07 1.73 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.503 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -65.05 -68.31 0.37 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.355 0.598 . . . . 0.0 111.115 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 m -155.91 -178.45 7.31 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' N ' ' HA ' ' A' ' 21' ' ' ASP . . . -141.1 145.06 15.43 Favored Glycine 0 N--CA 1.418 -2.535 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.602 ' HA ' HG23 ' A' ' 17' ' ' THR . 63.3 mtm180 -133.12 143.92 49.59 Favored 'General case' 0 CA--C 1.456 -2.649 0 CA-C-O 122.164 0.983 . . . . 0.0 112.244 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.0 t -99.95 110.81 23.14 Favored 'General case' 0 C--N 1.267 -2.985 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.155 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.573 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.6 mtp180 -99.26 178.87 4.77 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.882 -175.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.99 5.73 4.0 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -173.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -80.35 -13.86 58.82 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 69.38 27.82 4.91 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -170.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -124.71 149.74 46.91 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.007 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.8 t -83.86 126.21 32.74 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.546 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 65.4 m95 -113.65 122.62 47.73 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.97 129.9 43.1 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 t -101.25 152.02 21.18 Favored 'General case' 0 N--CA 1.406 -2.67 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 3' ' ' CYS . 13.8 ptp180 -136.52 150.71 48.8 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -80.48 120.88 25.05 Favored 'General case' 0 N--CA 1.396 -3.172 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 175.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.265 -3.066 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.349 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm . . . . . 0 CA--C 1.496 -1.098 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 p -123.57 128.54 49.86 Favored 'General case' 0 N--CA 1.415 -2.2 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.6 m -112.78 129.66 56.35 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.9 tt0 -121.25 134.64 55.18 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -174.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -143.49 159.11 43.02 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.34 139.38 58.19 Favored 'General case' 0 N--CA 1.419 -1.991 0 C-N-CA 123.995 0.918 . . . . 0.0 111.348 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.15 123.6 18.59 Favored 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 123.497 0.498 . . . . 0.0 110.183 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -64.86 -41.23 95.85 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.456 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 p -108.37 13.09 25.84 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -100.38 98.64 9.26 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -104.9 123.49 47.82 Favored 'General case' 0 C--N 1.273 -2.737 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.74 179.3 15.97 Favored Glycine 0 C--O 1.259 1.686 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -82.17 145.98 13.99 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 123.128 2.552 . . . . 0.0 111.918 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.4 t -108.56 138.22 45.23 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.001 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -126.55 -4.98 6.51 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.429 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.2 m -148.0 123.5 10.39 Favored 'General case' 0 CA--C 1.558 1.258 0 O-C-N 121.452 -0.78 . . . . 0.0 112.416 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.526 HG23 ' HA ' ' A' ' 34' ' ' ARG . 45.5 m -58.25 -36.59 73.45 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.268 0.627 . . . . 0.0 111.678 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.76 -23.93 63.82 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.749 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.9 m -87.1 -36.6 18.02 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -69.7 -45.06 69.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.38 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.416 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 22.7 t70 -59.79 -41.19 90.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.039 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.31 -49.92 70.92 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.537 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -61.34 -50.72 71.8 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.298 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.6 m -66.08 -36.45 83.22 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.003 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 46.8 mttp -77.39 -57.72 3.67 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 177.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -73.35 -41.35 63.56 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -171.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 -44.63 6.93 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 118.909 -1.116 . . . . 0.0 111.176 -175.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -93.63 -7.44 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 49.89 51.84 15.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.949 1.299 . . . . 0.0 112.412 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 43' ' ' CYS . 73.2 mt -111.69 -173.87 2.34 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.654 174.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -65.7 -64.04 0.95 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.549 0.69 . . . . 0.0 111.233 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 m -148.46 178.49 8.56 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.41 136.68 6.39 Favored Glycine 0 N--CA 1.421 -2.363 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.526 ' HA ' HG23 ' A' ' 17' ' ' THR . 65.1 mtm180 -124.05 146.21 48.72 Favored 'General case' 0 CA--C 1.458 -2.573 0 CA-C-O 122.333 1.063 . . . . 0.0 112.73 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.8 t -103.73 106.12 16.54 Favored 'General case' 0 C--N 1.27 -2.851 0 CA-C-N 113.094 -1.866 . . . . 0.0 106.301 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.3 mtp180 -97.09 176.94 5.76 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.082 -171.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.37 -12.62 57.86 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.79 0.836 . . . . 0.0 113.166 -173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 40' ' ' ARG . 4.2 p-10 -87.92 4.38 45.0 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.051 177.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 64.16 26.22 13.82 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 112.0 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.491 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 24.3 mmm180 -120.15 154.76 34.29 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.044 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -89.34 125.44 35.13 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.634 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.534 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 66.2 m95 -115.7 122.09 44.47 Favored 'General case' 0 C--N 1.286 -2.165 0 C-N-CA 123.992 0.917 . . . . 0.0 109.073 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.409 ' HB3' HD12 ' A' ' 30' ' ' LEU . 69.4 m -96.65 134.57 39.74 Favored 'General case' 0 C--N 1.285 -2.231 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.5 t -113.95 146.48 40.04 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -143.73 151.43 40.01 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -69.36 127.71 33.99 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--N 1.29 -2.018 0 CA-C-O 119.036 -0.507 . . . . 0.0 110.182 -178.237 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.501 -0.925 0 N-CA-C 111.272 0.101 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.257 36.0 p 61.73 117.51 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.298 1.439 . . . . 0.0 113.064 -175.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.2 m -108.43 156.77 19.08 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.435 -173.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 32.2 tt0 -146.87 132.3 18.62 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -145.56 157.12 44.03 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.7 mt -54.23 140.41 32.84 Favored 'General case' 0 N--CA 1.42 -1.959 0 C-N-CA 124.74 1.216 . . . . 0.0 111.813 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.59 129.56 41.67 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.307 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -62.71 -44.92 94.99 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 123.331 0.652 . . . . 0.0 111.558 -174.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 p -106.8 18.85 21.3 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -174.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.538 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 42.6 t80 -100.43 89.6 4.01 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 119.694 -0.802 . . . . 0.0 108.848 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -96.74 94.66 7.42 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.104 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.2 175.16 22.05 Favored Glycine 0 N--CA 1.43 -1.733 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -69.69 147.35 63.1 Favored 'Trans proline' 0 C--O 1.252 1.188 0 C-N-CA 122.895 2.397 . . . . 0.0 111.743 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.538 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 47.0 t -88.38 141.13 28.79 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.937 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -92.17 -70.17 0.71 Allowed 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.174 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 p -142.58 170.03 16.46 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.698 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 33' ' ' GLY . 23.7 m -61.69 -32.22 72.41 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.188 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.05 -36.26 92.04 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.711 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.9 p -83.18 -33.09 26.26 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 117.291 0.546 . . . . 0.0 110.308 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.83 -47.51 65.84 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.044 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.416 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 18.6 t70 -62.97 -39.81 95.82 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.007 0.523 . . . . 0.0 110.131 -178.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -51.82 -47.62 64.24 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.256 175.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -68.54 -49.52 58.92 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.768 -1.106 . . . . 0.0 111.32 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.9 m -65.84 -31.64 72.71 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 46.8 mttp -81.22 -62.88 1.53 Allowed 'General case' 0 N--CA 1.423 -1.807 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -67.93 -44.89 75.82 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -172.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -88.72 -47.06 8.51 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.392 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.9 -9.0 29.4 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -171.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.4 m80 56.25 38.47 29.83 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.873 0.869 . . . . 0.0 112.589 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -102.81 -165.46 1.18 Allowed 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.976 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' THR . 6.3 tpm_? -69.79 -69.67 0.33 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.772 0.796 . . . . 0.0 111.232 -175.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -149.89 -178.84 6.7 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' THR . . . -146.44 128.65 3.09 Favored Glycine 0 N--CA 1.414 -2.819 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 176.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -121.41 144.78 48.49 Favored 'General case' 0 CA--C 1.46 -2.512 0 CA-C-O 122.638 1.209 . . . . 0.0 112.828 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.2 t -97.93 110.25 22.86 Favored 'General case' 0 N--CA 1.399 -2.99 0 CA-C-N 112.991 -1.913 . . . . 0.0 107.674 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.525 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 30.7 mtp180 -96.12 169.45 9.95 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.78 -176.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -78.04 7.02 6.7 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 122.738 1.256 . . . . 0.0 110.117 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -78.85 -17.82 55.02 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 112.74 -2.027 . . . . 0.0 108.209 172.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 69.78 17.23 7.72 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 125.547 1.539 . . . . 0.0 113.662 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -121.17 157.19 30.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 174.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.4 t -83.83 128.16 34.34 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 123.442 0.464 . . . . 0.0 110.082 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 47.1 m95 -116.61 116.74 28.14 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.708 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.5 m -87.68 130.71 34.71 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 24.0 m -84.96 145.74 27.59 Favored 'General case' 0 N--CA 1.406 -2.631 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -143.77 139.61 29.49 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 121.348 0.594 . . . . 0.0 110.429 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.22 133.83 47.44 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.509 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 C--N 1.297 -1.692 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.9 mttp . . . . . 0 CA--C 1.499 -1.002 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p -114.77 135.84 53.73 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-O 121.18 0.514 . . . . 0.0 111.537 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.1 m -131.87 147.95 52.51 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.471 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 33.8 tt0 -126.37 126.85 44.57 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 -178.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.67 156.95 45.11 Favored 'General case' 0 CA--C 1.484 -1.585 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -176.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.81 143.2 43.08 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 124.437 1.095 . . . . 0.0 112.664 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.28 133.83 48.39 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -84.9 -36.13 21.69 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -172.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.412 HG21 ' HE3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -101.75 15.27 29.46 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.694 0.759 . . . . 0.0 110.535 -176.281 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.476 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 25.1 t80 -93.93 108.59 20.37 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -98.17 123.59 42.3 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.292 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.8 -176.09 21.94 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.825 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.23 155.24 32.89 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 C-N-CA 122.68 2.253 . . . . 0.0 111.057 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 42.4 t -88.06 152.56 21.93 Favored 'General case' 0 N--CA 1.408 -2.527 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.837 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -113.97 -54.88 2.56 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.74 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -139.51 150.37 45.04 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.208 -176.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 34' ' ' ARG . 42.8 m -55.54 -47.59 76.09 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.852 0.861 . . . . 0.0 112.579 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.47 -29.77 70.12 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.353 -0.451 . . . . 0.0 113.644 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 t -78.05 -39.15 42.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.07 -43.65 86.76 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.12 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.54 -46.32 89.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 123.792 0.837 . . . . 0.0 109.977 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -56.22 -51.93 66.3 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.161 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -57.06 -48.88 77.48 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.548 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -65.26 -41.67 94.04 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -76.0 -49.15 18.46 Favored 'General case' 0 N--CA 1.426 -1.638 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -75.03 -54.87 6.41 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-O 121.058 0.456 . . . . 0.0 111.967 -175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HE3' HG21 ' A' ' 9' ' ' THR . 21.2 tptp -86.4 -52.09 5.82 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -78.37 -18.43 55.11 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.609 0.718 . . . . 0.0 111.806 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.8 m80 67.18 31.21 6.83 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 114.172 -1.376 . . . . 0.0 111.492 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -98.96 -167.03 1.43 Allowed 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.879 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.542 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 13.2 ttp180 -82.56 -57.81 3.18 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.925 0.393 . . . . 0.0 111.663 -169.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.5 m -151.91 -179.25 7.31 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -151.64 144.07 11.22 Favored Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.503 ' HA ' HG23 ' A' ' 17' ' ' THR . 54.5 mtm180 -132.4 154.19 50.06 Favored 'General case' 0 CA--C 1.464 -2.35 0 CA-C-O 122.626 1.203 . . . . 0.0 112.639 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 t -111.27 99.08 7.97 Favored 'General case' 0 C--N 1.268 -2.935 0 CA-C-N 113.127 -1.851 . . . . 0.0 107.28 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -89.02 -178.98 5.83 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.566 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.03 -23.85 65.73 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -80.12 0.37 32.42 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.983 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 63.54 26.68 14.82 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.129 0.972 . . . . 0.0 113.278 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -116.74 154.29 30.9 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -79.89 117.13 20.47 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.865 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.471 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 49.5 m95 -109.68 116.9 32.56 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.003 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.432 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 78.0 m -85.58 130.88 34.47 Favored 'General case' 0 C--N 1.277 -2.553 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -93.84 137.22 33.31 Favored 'General case' 0 N--CA 1.403 -2.794 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.542 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 8.3 ptm180 -143.92 159.65 42.19 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 119.262 -0.975 . . . . 0.0 113.207 -175.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -73.37 123.29 23.52 Favored 'General case' 0 N--CA 1.388 -3.53 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.254 -3.581 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -170.879 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 47' ' ' CYS . 6.7 mtpm? . . . . . 0 CA--C 1.507 -0.703 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.282 41.3 p 62.11 117.03 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 125.465 1.506 . . . . 0.0 114.121 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HB2' ' HG3' ' A' ' 45' ' ' ARG . 95.9 m -111.11 152.71 26.65 Favored 'General case' 0 C--N 1.272 -2.797 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 26.8 tt0 -143.03 135.17 27.14 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.02 -176.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -140.32 168.65 19.32 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -71.41 146.35 48.76 Favored 'General case' 0 C--N 1.291 -1.96 0 C-N-CA 123.739 0.816 . . . . 0.0 111.713 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.6 139.68 45.7 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -92.74 -32.55 14.66 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.604 -173.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -102.38 3.41 37.85 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.642 0.734 . . . . 0.0 112.412 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -99.54 84.56 2.98 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -96.33 121.13 37.79 Favored 'General case' 0 C--N 1.275 -2.663 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.126 -175.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.88 -170.72 19.3 Favored Glycine 0 C--N 1.301 -1.399 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -173.11 1.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.529 2.153 . . . . 0.0 111.052 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.8 m -69.43 119.58 13.91 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.728 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.96 -56.51 3.52 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 169.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.66 141.97 14.9 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.182 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.51 HG23 ' HA ' ' A' ' 34' ' ' ARG . 63.3 m -57.28 -47.55 81.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.873 0.869 . . . . 0.0 110.646 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.99 -35.69 92.44 Favored Glycine 0 C--O 1.224 -0.477 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.718 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -78.23 -26.12 47.21 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.223 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.5 t -65.91 -43.82 87.05 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.438 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 28.8 t70 -61.2 -54.56 42.7 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.293 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.7 -40.91 80.56 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.106 0.479 . . . . 0.0 110.709 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -59.23 -53.45 58.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.83 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.69 -36.39 82.75 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.587 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -71.04 -55.88 7.32 Favored 'General case' 0 N--CA 1.421 -1.881 0 C-N-CA 122.87 0.468 . . . . 0.0 112.079 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -73.36 -59.58 2.65 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -81.16 -37.27 29.05 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-O 120.892 0.377 . . . . 0.0 111.822 -170.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -104.89 1.06 28.56 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 119.15 -1.02 . . . . 0.0 113.065 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 56.97 29.16 15.88 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.55 1.14 . . . . 0.0 112.626 171.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.0 mt -101.92 -170.33 1.8 Allowed 'General case' 0 C--N 1.31 -1.151 0 O-C-N 121.967 -0.458 . . . . 0.0 111.872 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -71.31 -63.75 1.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.351 0.66 . . . . 0.0 112.397 -173.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 m -149.45 -179.12 6.83 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' N ' ' HA ' ' A' ' 21' ' ' ASP . . . -151.74 146.1 14.52 Favored Glycine 0 N--CA 1.422 -2.248 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 176.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.51 ' HA ' HG23 ' A' ' 17' ' ' THR . 41.8 mtm180 -147.97 156.92 43.2 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.863 0.84 . . . . 0.0 112.219 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.9 t -90.61 130.54 36.62 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 113.907 -1.497 . . . . 0.0 107.035 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.641 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 56.0 mtp180 -115.32 172.62 6.97 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.377 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.24 -14.83 28.82 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -174.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' OD2' ' HB2' ' A' ' 40' ' ' ARG . 4.4 p-10 -89.37 7.85 33.68 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 123.096 0.558 . . . . 0.0 111.68 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 66.55 20.16 10.83 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.06 1.344 . . . . 0.0 112.754 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 21.8 mmm180 -115.75 155.3 28.05 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.234 0.54 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -86.9 121.55 29.53 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.632 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.641 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 55.5 m95 -110.83 128.27 55.71 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.2 m -98.27 130.46 44.97 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -88.46 149.59 23.59 Favored 'General case' 0 N--CA 1.407 -2.602 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HG3' ' HB2' ' A' ' 3' ' ' CYS . 2.0 ptp180 -140.1 142.59 36.07 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -71.9 138.54 48.23 Favored 'General case' 0 N--CA 1.414 -2.242 0 CA-C-O 121.512 0.672 . . . . 0.0 112.082 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' LYS . 28.6 p . . . . . 0 C--N 1.286 -2.153 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 CA--C 1.504 -0.826 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.296 38.7 p 63.34 116.49 0.02 OUTLIER 'General case' 0 C--O 1.245 0.86 0 C-N-CA 125.612 1.565 . . . . 0.0 115.156 176.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m -100.03 140.3 34.46 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-N 113.577 -1.647 . . . . 0.0 108.145 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -145.42 131.8 19.63 Favored 'General case' 0 N--CA 1.416 -2.133 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -147.82 164.64 33.02 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.498 ' H ' HD12 ' A' ' 6' ' ' LEU . 4.9 mp -74.54 145.22 43.63 Favored 'General case' 0 N--CA 1.383 -3.82 0 C-N-CA 122.633 0.373 . . . . 0.0 110.194 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.53 118.91 10.81 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -75.8 -23.48 55.86 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.347 -172.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 p -106.31 5.8 29.99 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 54.4 t80 -94.18 103.94 15.97 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 174.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -105.01 111.83 24.75 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.748 -171.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.45 -166.11 15.99 Favored Glycine 0 N--CA 1.432 -1.628 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.919 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -81.13 147.42 16.42 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 123.317 2.678 . . . . 0.0 112.24 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 51.7 t -83.13 128.55 34.59 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.114 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -106.47 -31.58 8.48 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.2 m -152.52 136.63 16.49 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 121.738 -0.601 . . . . 0.0 111.444 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.498 HG23 ' HA ' ' A' ' 34' ' ' ARG . 26.3 m -58.25 -44.81 88.5 Favored 'General case' 0 C--O 1.208 -1.097 0 C-N-CA 124.096 0.958 . . . . 0.0 111.001 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.83 -30.3 69.22 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.877 -0.201 . . . . 0.0 112.847 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -78.56 -42.91 27.93 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -59.6 -50.53 73.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.344 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 17.8 t70 -54.65 -49.35 70.77 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 124.415 1.086 . . . . 0.0 110.446 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.2 -46.27 83.02 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 123.676 0.61 . . . . 0.0 111.003 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -60.65 -47.35 86.63 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.701 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -65.46 -34.99 79.57 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.294 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 70.8 mmtt -66.66 -68.84 0.34 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.754 0.788 . . . . 0.0 110.973 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.27 -47.17 45.18 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.738 -1.119 . . . . 0.0 113.267 -171.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -85.75 -49.2 8.13 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.226 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -94.57 -0.71 54.32 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 119.362 -0.935 . . . . 0.0 113.169 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 56.08 36.37 27.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.176 0.99 . . . . 0.0 113.088 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -107.57 -172.8 2.14 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.779 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 2.1 tmt_? -73.73 -57.93 3.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.678 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 m -153.56 -178.29 6.91 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.9 140.29 7.95 Favored Glycine 0 N--CA 1.426 -1.988 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.498 ' HA ' HG23 ' A' ' 17' ' ' THR . 77.0 mtm180 -130.91 149.18 52.66 Favored 'General case' 0 CA--C 1.457 -2.608 0 CA-C-O 122.538 1.161 . . . . 0.0 113.031 -178.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 t -94.19 96.82 9.85 Favored 'General case' 0 N--CA 1.401 -2.876 0 CA-C-N 112.848 -1.978 . . . . 0.0 107.483 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 57.5 mtp180 -87.18 161.03 18.29 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.731 -176.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -75.32 76.14 2.42 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.187 0.994 . . . . 0.0 108.906 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -163.14 9.17 0.05 Allowed 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 113.361 -1.745 . . . . 0.0 108.28 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 56.21 19.01 3.59 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 124.268 1.027 . . . . 0.0 112.93 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -125.48 145.81 49.92 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 121.698 0.761 . . . . 0.0 112.208 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.5 t -82.8 121.72 27.27 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 113.762 -1.563 . . . . 0.0 108.405 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 54.3 m95 -113.42 115.96 28.89 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.22 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.0 m -82.78 136.49 34.66 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 t -125.02 148.65 48.38 Favored 'General case' 0 N--CA 1.407 -2.62 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 12.9 ptm180 -149.44 160.08 43.75 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -76.97 143.86 39.15 Favored 'General case' 0 N--CA 1.391 -3.378 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.294 -1.807 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 177.036 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt . . . . . 0 CA--C 1.506 -0.734 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 p -126.13 127.97 46.59 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 171.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.4 m -115.11 125.5 53.56 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.714 -174.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.511 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 39.6 tt0 -102.69 113.05 26.12 Favored 'General case' 0 C--N 1.283 -2.307 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -137.39 152.74 49.99 Favored 'General case' 0 CA--C 1.47 -2.109 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.2 mt -52.2 139.93 22.52 Favored 'General case' 0 N--CA 1.424 -1.773 0 O-C-N 124.802 1.314 . . . . 0.0 112.062 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.55 148.28 20.02 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.294 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -85.97 -36.99 19.48 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.892 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 m -116.86 22.93 12.29 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.748 0.785 . . . . 0.0 111.089 -173.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -104.22 127.62 51.86 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -143.22 110.59 5.77 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.45 -177.71 21.47 Favored Glycine 0 C--N 1.292 -1.91 0 N-CA-C 108.926 -1.67 . . . . 0.0 108.926 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -85.93 154.49 9.94 Favored 'Trans proline' 0 N--CA 1.435 -1.918 0 CA-C-N 119.392 1.596 . . . . 0.0 111.474 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 t -112.44 160.51 17.69 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.88 -61.0 0.68 Allowed 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.527 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 24.6 m -97.83 132.88 43.04 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.018 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.543 HG23 ' HA ' ' A' ' 34' ' ' ARG . 86.5 m -56.2 -41.93 76.36 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.663 0.785 . . . . 0.0 112.005 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.02 -21.38 65.69 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.179 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.527 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 12.4 m -73.46 -35.55 65.75 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -178.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -71.12 -39.46 72.02 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.001 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 23.8 t70 -62.23 -42.06 98.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.451 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -54.64 -50.66 67.6 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.821 173.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -60.35 -51.73 68.27 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.953 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.9 m -65.9 -35.5 80.79 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.841 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 8.1 mmtp -82.36 -52.86 6.51 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -78.09 -39.61 40.94 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -175.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -91.35 -50.02 6.04 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.794 -0.762 . . . . 0.0 111.957 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.21 -9.55 41.84 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.422 -174.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 14.4 t-80 58.07 37.59 26.5 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.64 1.176 . . . . 0.0 110.957 175.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.6 mt -98.36 -170.84 2.02 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.245 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -69.98 -57.22 5.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.031 0.443 . . . . 0.0 111.995 -171.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.0 m -160.23 -179.08 7.43 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.94 147.51 18.03 Favored Glycine 0 N--CA 1.427 -1.939 0 O-C-N 123.833 0.708 . . . . 0.0 111.388 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.543 ' HA ' HG23 ' A' ' 17' ' ' THR . 54.6 mtm180 -137.08 160.22 39.6 Favored 'General case' 0 CA--C 1.473 -2.003 0 CA-C-O 121.84 0.829 . . . . 0.0 111.593 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.538 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 14.0 t -108.37 108.59 19.62 Favored 'General case' 0 C--N 1.268 -2.945 0 CA-C-N 114.254 -1.339 . . . . 0.0 108.154 -177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.691 ' HB2' ' CD1' ' A' ' 42' ' ' TRP . 44.5 mtp180 -120.6 178.45 4.68 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 62.77 12.28 5.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.798 0.839 . . . . 0.0 112.138 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.1 t70 77.27 -3.83 2.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.26 1.824 . . . . 0.0 111.601 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -171.76 15.08 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -118.4 142.75 47.23 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 119.5 1.045 . . . . 0.0 111.523 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.2 t -91.83 120.08 32.21 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.18 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.691 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 52.4 m95 -111.84 116.87 31.39 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.796 179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -96.19 129.56 43.47 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 8.6 m -90.89 136.36 33.12 Favored 'General case' 0 N--CA 1.405 -2.724 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -141.0 142.99 34.19 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -69.38 123.41 21.15 Favored 'General case' 0 N--CA 1.411 -2.376 0 CA-C-O 121.327 0.584 . . . . 0.0 109.595 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.279 -2.492 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.075 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.9 pttp . . . . . 0 CA--C 1.489 -1.381 0 CA-C-O 120.888 0.375 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.6 p 47.7 112.36 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 126.17 1.788 . . . . 0.0 114.302 -173.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.0 m -116.58 128.4 55.37 Favored 'General case' 0 C--N 1.259 -3.366 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.409 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 30.9 tt0 -131.74 126.2 33.87 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -174.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -138.86 165.82 26.05 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.85 142.43 58.44 Favored 'General case' 0 N--CA 1.403 -2.805 0 O-C-N 123.826 0.704 . . . . 0.0 111.84 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 10' ' ' TYR . . . -63.72 121.68 14.55 Favored 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 174.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -75.04 -23.56 58.15 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.967 -174.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 p -106.35 15.27 26.3 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.786 -0.766 . . . . 0.0 112.461 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.544 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 45.6 t80 -124.26 120.02 31.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -119.32 173.11 7.15 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.18 -165.71 52.18 Favored Glycine 0 N--CA 1.434 -1.474 0 O-C-N 123.495 0.497 . . . . 0.0 112.409 177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -74.19 145.87 35.47 Favored 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 122.522 2.148 . . . . 0.0 111.538 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.544 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 27.8 t -81.38 133.79 35.47 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.265 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -84.72 -59.79 2.25 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.083 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 p -149.44 163.26 38.26 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 120.708 0.29 . . . . 0.0 111.04 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.494 HG23 ' HA ' ' A' ' 34' ' ' ARG . 30.6 m -63.5 -33.83 76.44 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 172.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.18 -43.33 95.41 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 115.657 -0.702 . . . . 0.0 113.029 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 p -81.15 -32.94 33.45 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 117.27 0.535 . . . . 0.0 110.802 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.58 -46.63 84.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.557 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -62.37 -43.98 97.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.63 0.772 . . . . 0.0 110.135 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.41 -52.01 63.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.668 0.787 . . . . 0.0 109.876 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -60.91 -51.16 70.45 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.96 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.1 m -65.05 -34.31 78.11 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.46 -48.96 12.05 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.45 -46.92 24.85 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -90.1 -49.01 6.82 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.47 -6.22 50.28 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.012 -1.075 . . . . 0.0 112.504 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.7 m80 56.06 33.5 22.01 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.758 1.223 . . . . 0.0 113.086 174.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.4 mt -100.81 -173.86 2.49 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HA ' ' HE ' ' A' ' 31' ' ' ARG . 1.1 tpm_? -60.57 -60.44 3.81 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.744 0.818 . . . . 0.0 111.664 -172.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 m -159.03 -178.94 7.6 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.63 140.16 9.65 Favored Glycine 0 C--N 1.286 -2.22 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.494 ' HA ' HG23 ' A' ' 17' ' ' THR . 23.9 mtm180 -132.56 148.56 52.37 Favored 'General case' 0 CA--C 1.469 -2.156 0 CA-C-O 122.511 1.148 . . . . 0.0 113.443 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.2 t -99.71 117.48 34.15 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 113.118 -1.856 . . . . 0.0 107.753 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -101.77 -172.07 2.09 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.648 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.73 -15.29 60.3 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.359 0.6 . . . . 0.0 111.587 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.3 -3.97 56.3 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.762 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 51.57 51.97 15.63 Favored 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 125.029 1.332 . . . . 0.0 114.208 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -133.82 160.29 38.08 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.0 t -84.78 122.82 29.67 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 123.35 0.407 . . . . 0.0 109.92 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.409 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 52.9 m95 -111.16 124.81 52.95 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.2 m -94.97 129.32 42.07 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.8 m -90.37 133.76 34.77 Favored 'General case' 0 N--CA 1.403 -2.788 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -133.03 142.9 49.04 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.255 173.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -79.42 128.94 33.98 Favored 'General case' 0 N--CA 1.411 -2.412 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.077 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.279 -2.496 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.508 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 1' ' ' LYS . 7.5 mptt . . . . . 0 CA--C 1.507 -0.705 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 p -120.46 131.46 54.77 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.24 128.4 53.31 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 30.4 tt0 -116.03 135.74 53.67 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -140.11 167.81 21.27 Favored 'General case' 0 CA--C 1.471 -2.067 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.1 142.77 41.6 Favored 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.408 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.55 134.5 55.64 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 124.013 0.82 . . . . 0.0 109.557 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -81.18 -44.44 17.84 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.046 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 m -86.89 -11.98 49.15 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.753 0.787 . . . . 0.0 111.776 -171.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 41.8 t80 -87.47 103.32 15.4 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -178.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.54 122.24 46.25 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -178.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.91 -175.44 15.88 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.671 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.99 152.85 18.99 Favored 'Trans proline' 0 N--CA 1.44 -1.626 0 C-N-CA 122.91 2.407 . . . . 0.0 112.766 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 32.1 t -106.43 141.75 37.22 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 114.32 -1.309 . . . . 0.0 107.609 176.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.56 -22.33 7.57 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.025 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -153.99 138.94 17.22 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 120.856 0.36 . . . . 0.0 111.711 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.506 HG23 ' HA ' ' A' ' 34' ' ' ARG . 19.7 m -51.83 -39.0 58.09 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.989 1.316 . . . . 0.0 113.357 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.41 66.37 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 121.988 -0.149 . . . . 0.0 113.358 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.0 m -76.04 -26.74 56.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.599 0.714 . . . . 0.0 109.294 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.2 t -82.45 -48.88 10.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.429 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.98 -49.82 75.5 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 123.832 0.853 . . . . 0.0 112.518 -176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.44 -42.14 95.49 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -61.56 -50.04 74.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.494 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.1 m -63.31 -34.62 78.1 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.851 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -78.72 -56.11 4.66 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 120.788 0.327 . . . . 0.0 111.807 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -67.4 -54.24 22.16 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 123.707 0.803 . . . . 0.0 112.331 -174.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -93.8 -41.46 9.64 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.541 -0.464 . . . . 0.0 112.048 -171.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.251 11.5 mt-10 -95.59 -7.85 36.63 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 118.745 -1.182 . . . . 0.0 113.185 -175.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.3 m80 61.14 29.93 19.1 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -100.66 -170.37 1.85 Allowed 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.56 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 37.9 ttt180 -63.72 -65.68 0.65 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.364 0.602 . . . . 0.0 112.297 -173.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.7 m -155.91 -179.04 7.75 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 -175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.3 142.22 11.16 Favored Glycine 0 C--N 1.288 -2.111 0 N-CA-C 110.239 -1.145 . . . . 0.0 110.239 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.506 ' HA ' HG23 ' A' ' 17' ' ' THR . 60.0 mtm180 -134.09 148.79 51.07 Favored 'General case' 0 CA--C 1.465 -2.291 0 CA-C-O 122.413 1.101 . . . . 0.0 112.703 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.0 t -101.84 116.48 32.8 Favored 'General case' 0 C--N 1.272 -2.765 0 CA-C-N 113.422 -1.717 . . . . 0.0 106.866 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.662 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 69.7 mtp180 -105.46 -179.78 4.04 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.458 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.9 -15.26 61.78 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.204 0.602 . . . . 0.0 112.163 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.72 -21.71 66.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.833 0.853 . . . . 0.0 109.409 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 65.61 32.25 9.34 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.727 1.251 . . . . 0.0 107.673 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -121.99 150.72 41.67 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.769 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.9 t -83.15 120.45 25.81 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.605 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.662 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 72.1 m95 -109.59 117.61 34.4 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.068 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 70.3 m -93.2 131.0 38.69 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -96.92 144.28 26.99 Favored 'General case' 0 N--CA 1.406 -2.655 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -133.38 154.21 50.94 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.553 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 94.8 m-20 -83.76 126.94 33.42 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.283 -2.303 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.803 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.502 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 27.9 mttp . . . . . 0 CA--C 1.496 -1.112 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.4 p -118.96 131.43 56.02 Favored 'General case' 0 N--CA 1.414 -2.262 0 CA-C-O 121.294 0.569 . . . . 0.0 109.828 174.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.3 m -119.8 128.38 53.66 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 31.5 tt0 -121.71 139.41 53.61 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -171.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -146.46 163.98 33.95 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.433 HD13 ' NH1' ' A' ' 40' ' ' ARG . 72.2 mt -69.03 138.63 54.61 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 124.448 1.099 . . . . 0.0 110.947 -177.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.62 106.91 4.22 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -80.93 -6.54 58.82 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -105.26 7.92 33.7 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 122.211 1.005 . . . . 0.0 108.516 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -111.02 120.71 43.29 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -121.84 137.71 54.67 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.477 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.16 161.17 14.59 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.594 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.31 142.44 79.35 Favored 'Trans proline' 0 C--O 1.246 0.904 0 C-N-CA 122.711 2.274 . . . . 0.0 112.029 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.54 137.53 46.34 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.547 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -129.78 1.7 4.9 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.0 m -146.96 128.65 15.2 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.438 -0.789 . . . . 0.0 111.912 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 34' ' ' ARG . 26.6 m -59.7 -46.57 88.7 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.41 1.084 . . . . 0.0 111.254 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.21 -26.84 71.78 Favored Glycine 0 C--O 1.221 -0.701 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.7 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -73.87 -29.61 62.19 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.781 0.801 . . . . 0.0 109.09 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.54 -43.09 27.57 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.586 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.11 -46.78 84.99 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.939 0.496 . . . . 0.0 110.242 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -49.43 -49.65 44.16 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.535 1.134 . . . . 0.0 110.437 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.35 -52.91 42.24 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.716 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.23 -36.72 82.86 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.72 -56.62 4.44 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 121.197 0.522 . . . . 0.0 112.139 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -77.41 -40.17 44.53 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -172.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -93.02 -45.3 7.99 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.108 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -99.41 -1.22 39.22 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.14 -1.024 . . . . 0.0 113.719 -173.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.6 m80 57.8 30.68 19.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.214 1.006 . . . . 0.0 112.754 172.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.62 -171.07 1.99 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 2.3 tmt_? -72.65 -63.51 1.15 Allowed 'General case' 0 C--N 1.309 -1.168 0 O-C-N 123.187 0.305 . . . . 0.0 111.146 -171.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.0 m -147.39 -176.84 5.39 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.23 139.56 7.56 Favored Glycine 0 N--CA 1.422 -2.292 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HA ' HG23 ' A' ' 17' ' ' THR . 40.2 mtm180 -131.47 153.78 49.4 Favored 'General case' 0 CA--C 1.455 -2.707 0 CA-C-O 122.823 1.297 . . . . 0.0 111.969 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 10.1 t -107.78 108.36 19.53 Favored 'General case' 0 C--N 1.254 -3.56 0 CA-C-N 113.03 -1.896 . . . . 0.0 107.266 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.664 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 22.2 mtp180 -94.47 175.91 6.5 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.022 -174.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -76.55 1.42 16.76 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 122.384 1.088 . . . . 0.0 109.811 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.43 -10.58 59.75 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 113.821 -1.536 . . . . 0.0 108.743 174.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 68.93 18.53 8.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.827 1.251 . . . . 0.0 111.742 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' NH1' HD13 ' A' ' 6' ' ' LEU . 60.3 mtp180 -123.55 160.22 27.48 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 177.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.55 123.58 29.9 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.222 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.664 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 63.4 m95 -114.0 122.43 46.91 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.39 135.02 33.95 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.9 140.48 37.64 Favored 'General case' 0 N--CA 1.408 -2.534 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 37.7 ptt180 -140.38 152.98 46.19 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -78.83 132.64 36.93 Favored 'General case' 0 N--CA 1.419 -1.995 0 C-N-CA 123.381 0.672 . . . . 0.0 111.47 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 1' ' ' LYS . 14.7 p . . . . . 0 C--N 1.293 -1.864 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.8 pttm . . . . . 0 CA--C 1.49 -1.33 0 CA-C-O 120.58 0.228 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.3 p 63.52 121.92 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 125.663 1.585 . . . . 0.0 113.085 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.5 m -116.61 132.85 56.58 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.078 -173.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.0 tt0 -110.23 133.39 53.28 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.683 0.278 . . . . 0.0 110.266 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -150.01 161.3 42.61 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.7 mt -57.12 146.87 26.29 Favored 'General case' 0 C--N 1.277 -2.57 0 C-N-CA 126.236 1.814 . . . . 0.0 113.176 -175.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.31 147.16 51.53 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -98.14 -30.72 12.49 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.22 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -107.61 9.06 29.43 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -87.16 119.51 27.47 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -115.89 142.5 46.7 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.672 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.31 148.82 22.17 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.4 128.41 26.03 Favored 'Trans proline' 0 C--O 1.245 0.862 0 C-N-CA 122.314 2.009 . . . . 0.0 110.987 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.62 133.72 34.1 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.692 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -133.81 3.72 3.52 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.087 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -144.06 119.32 10.18 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.577 -0.702 . . . . 0.0 111.941 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.549 HG23 ' HA ' ' A' ' 34' ' ' ARG . 25.5 m -59.97 -36.02 76.23 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 122.694 0.398 . . . . 0.0 110.998 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.75 -26.76 69.0 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 121.466 -0.397 . . . . 0.0 112.441 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -83.95 -38.59 20.81 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.8 t -65.75 -52.13 53.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.163 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.95 -43.24 77.3 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 124.001 0.92 . . . . 0.0 110.867 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.34 -48.55 78.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.454 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.78 -46.48 81.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.466 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.83 -27.78 69.11 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.727 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -88.21 -56.77 3.18 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -67.46 -46.62 72.5 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.018 0.437 . . . . 0.0 112.13 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -92.38 -53.43 4.22 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.288 -173.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -88.93 -17.4 29.62 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -172.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 57.32 45.1 20.7 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -105.78 -169.08 1.53 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.537 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 4.5 tpm_? -60.38 -61.93 2.23 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 122.947 0.499 . . . . 0.0 112.2 -174.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.0 m -163.36 -174.49 3.8 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.54 138.36 7.14 Favored Glycine 0 N--CA 1.419 -2.484 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.549 ' HA ' HG23 ' A' ' 17' ' ' THR . 77.6 mtm180 -125.82 145.24 50.31 Favored 'General case' 0 CA--C 1.462 -2.427 0 CA-C-O 122.277 1.037 . . . . 0.0 112.05 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.4 t -104.32 111.37 23.98 Favored 'General case' 0 C--N 1.268 -2.961 0 CA-C-N 113.762 -1.563 . . . . 0.0 107.514 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -104.5 179.55 4.24 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.606 -173.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.0 -4.51 4.69 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 124.792 1.237 . . . . 0.0 111.767 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.85 -15.34 61.16 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.6 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 68.7 19.76 8.41 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.266 1.426 . . . . 0.0 110.456 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -125.58 159.49 31.99 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.511 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.0 t -86.73 125.08 33.66 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 124.187 0.929 . . . . 0.0 109.47 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 46.5 m95 -113.39 110.68 20.72 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 123.997 0.919 . . . . 0.0 109.734 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.4 m -86.74 133.23 33.68 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 8.8 m -92.56 146.19 23.86 Favored 'General case' 0 N--CA 1.404 -2.758 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -135.55 159.01 42.94 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.499 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 81.8 m-20 -69.47 136.75 51.92 Favored 'General case' 0 N--CA 1.409 -2.477 0 C-N-CA 123.361 0.664 . . . . 0.0 109.321 175.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.29 -2.001 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 176.689 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.256 70.7 p 69.17 130.85 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.558 1.943 . . . . 0.0 113.622 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m -123.24 152.01 41.74 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.54 146.02 51.58 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -154.36 164.65 38.28 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.62 145.11 53.21 Favored 'General case' 0 N--CA 1.413 -2.322 0 C-N-CA 124.494 1.118 . . . . 0.0 111.902 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.9 107.99 6.45 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 172.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.79 -4.87 53.95 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -170.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.1 p -116.3 9.48 14.52 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.123 173.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -101.81 89.75 3.77 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -95.39 132.7 40.15 Favored 'General case' 0 C--N 1.275 -2.662 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.761 -175.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.57 -178.47 18.07 Favored Glycine 0 N--CA 1.426 -2.007 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.77 133.66 11.56 Favored 'Trans proline' 0 N--CA 1.445 -1.344 0 C-N-CA 122.533 2.155 . . . . 0.0 111.67 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t -94.38 145.29 24.86 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -127.12 -50.15 1.44 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -112.59 138.58 49.16 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.576 HG23 ' HA ' ' A' ' 34' ' ' ARG . 23.7 m -60.03 -35.94 76.19 Favored 'General case' 0 C--O 1.211 -0.973 0 C-N-CA 123.555 0.742 . . . . 0.0 111.988 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.96 -32.73 83.15 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.166 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 m -74.98 -36.28 62.04 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.92 -48.86 62.25 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.931 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.92 -48.88 74.89 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.151 1.38 . . . . 0.0 110.999 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.45 -49.55 76.9 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 123.54 0.525 . . . . 0.0 110.72 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -60.06 -47.82 84.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.692 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.82 -36.22 83.18 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -76.23 -54.83 6.22 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-O 120.466 0.174 . . . . 0.0 111.404 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -64.77 -52.56 56.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.653 0.781 . . . . 0.0 112.435 -175.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 10.5 tmtt? -95.12 -50.27 5.14 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.606 -172.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.25 22.3 mt-10 -87.28 -6.0 58.7 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.094 -1.043 . . . . 0.0 112.637 -170.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.2 m80 62.89 26.33 15.5 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 125.279 1.432 . . . . 0.0 112.089 171.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD12 ' CB ' ' A' ' 43' ' ' CYS . 85.0 mt -97.34 -171.9 2.3 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.672 -177.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -68.69 -56.08 9.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.657 0.742 . . . . 0.0 111.019 -171.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 m -160.85 -175.44 4.94 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.05 138.36 7.7 Favored Glycine 0 N--CA 1.42 -2.42 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.576 ' HA ' HG23 ' A' ' 17' ' ' THR . 24.9 mtm180 -124.02 142.48 51.14 Favored 'General case' 0 CA--C 1.452 -2.813 0 CA-C-O 122.481 1.134 . . . . 0.0 111.943 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.1 t -96.5 125.25 40.85 Favored 'General case' 0 C--N 1.261 -3.242 0 CA-C-N 113.484 -1.689 . . . . 0.0 106.972 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.67 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.5 mtp180 -108.64 161.8 14.74 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.728 -177.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.38 -10.16 30.98 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.591 1.156 . . . . 0.0 113.643 -169.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -88.37 11.45 16.78 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.936 0.874 . . . . 0.0 110.311 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 71.03 21.97 4.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.706 1.202 . . . . 0.0 112.765 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -121.63 148.89 43.96 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.445 -0.902 . . . . 0.0 111.893 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.6 t -83.67 132.14 34.89 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.328 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.67 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 49.9 m95 -121.32 122.37 39.71 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.413 ' CB ' HD12 ' A' ' 30' ' ' LEU . 84.2 m -89.54 129.69 35.98 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 m -93.29 135.25 34.69 Favored 'General case' 0 N--CA 1.411 -2.402 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -137.31 146.97 45.28 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.644 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -63.27 127.28 30.58 Favored 'General case' 0 N--CA 1.414 -2.228 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 C--N 1.283 -2.313 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -170.175 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt . . . . . 0 C--O 1.238 0.49 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.9 p -126.55 137.47 53.35 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.3 m -134.4 151.9 51.48 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 26.4 tt0 -139.04 129.64 25.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -139.06 160.73 39.09 Favored 'General case' 0 CA--C 1.478 -1.79 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.68 139.35 58.31 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.426 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 10' ' ' TYR . . . -58.51 128.03 35.14 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 123.788 0.68 . . . . 0.0 109.658 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -74.79 -30.45 61.44 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.258 -172.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 p -113.43 7.88 17.71 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.452 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 47.7 t80 -98.06 106.42 18.71 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -110.13 130.57 55.52 Favored 'General case' 0 C--N 1.278 -2.502 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -175.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.83 179.11 22.17 Favored Glycine 0 N--CA 1.431 -1.664 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.561 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -66.73 151.78 81.89 Favored 'Trans proline' 0 C--O 1.247 0.934 0 C-N-CA 123.223 2.616 . . . . 0.0 112.662 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 34.7 t -121.03 145.07 48.17 Favored 'General case' 0 C--N 1.289 -2.034 0 C-N-CA 125.092 1.357 . . . . 0.0 108.614 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -124.62 -39.94 2.25 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 123.26 0.35 . . . . 0.0 110.896 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.2 p -114.04 129.41 56.61 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -175.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.614 HG23 ' HA ' ' A' ' 34' ' ' ARG . 20.0 m -62.48 -33.96 75.89 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.096 176.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.95 -36.66 93.18 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.078 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 m -76.31 -33.99 59.05 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.454 0.645 . . . . 0.0 109.471 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.6 t -66.13 -46.68 76.67 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.086 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.13 -43.18 99.12 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.998 0.428 . . . . 0.0 110.548 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.4 -44.29 76.04 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.913 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -66.48 -56.58 10.24 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.458 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.32 -36.82 81.17 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -71.95 -55.53 7.3 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -82.8 -52.71 6.49 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 121.892 -0.505 . . . . 0.0 112.073 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -71.4 -40.39 70.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.794 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -107.69 -5.46 17.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -175.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 59.17 33.14 22.6 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.879 0.872 . . . . 0.0 113.015 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.71 -172.22 2.11 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.728 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -69.17 -62.88 1.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.928 0.394 . . . . 0.0 110.759 -172.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 m -152.54 -176.64 5.8 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.38 140.75 8.99 Favored Glycine 0 N--CA 1.421 -2.316 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.614 ' HA ' HG23 ' A' ' 17' ' ' THR . 73.8 mtm180 -134.03 145.41 49.41 Favored 'General case' 0 CA--C 1.472 -2.032 0 CA-C-O 122.135 0.969 . . . . 0.0 112.035 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.0 t -106.39 98.81 8.44 Favored 'General case' 0 C--N 1.274 -2.711 0 CA-C-N 114.267 -1.333 . . . . 0.0 109.153 -176.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 24.6 mtp180 -71.39 171.33 11.42 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.99 -176.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.7 -13.84 60.08 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.393 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.19 -7.2 34.28 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 125.644 1.578 . . . . 0.0 110.646 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 65.19 35.8 7.57 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 122.106 0.955 . . . . 0.0 108.564 -175.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -132.63 143.5 49.71 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.01 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.9 t -85.29 125.25 32.76 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.54 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 53.5 m95 -116.55 126.55 53.48 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 124.452 1.101 . . . . 0.0 108.709 178.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.3 m -97.87 133.52 42.25 Favored 'General case' 0 C--N 1.284 -2.245 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 m -90.67 140.87 29.36 Favored 'General case' 0 N--CA 1.414 -2.248 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -147.66 143.06 27.38 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.008 0.432 . . . . 0.0 111.416 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -72.27 130.59 41.14 Favored 'General case' 0 N--CA 1.411 -2.384 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.286 -2.181 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.362 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp . . . . . 0 CA--C 1.505 -0.773 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.262 31.8 p 60.4 113.62 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 125.278 1.431 . . . . 0.0 114.244 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.7 m -93.65 135.9 34.47 Favored 'General case' 0 C--N 1.267 -2.995 0 CA-C-N 113.643 -1.617 . . . . 0.0 107.148 -176.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.546 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.6 tt0 -146.39 134.89 22.04 Favored 'General case' 0 N--CA 1.41 -2.456 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -173.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -142.74 167.15 22.76 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.56 144.61 54.51 Favored 'General case' 0 N--CA 1.401 -2.888 0 C-N-CA 123.289 0.635 . . . . 0.0 111.829 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 115.71 8.82 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -75.64 -22.52 56.71 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -171.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.462 HG23 ' CE1' ' A' ' 23' ' ' HIS . 10.1 t -111.95 14.64 20.89 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 119.579 -0.848 . . . . 0.0 111.967 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -98.9 102.08 13.68 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -103.58 127.99 50.9 Favored 'General case' 0 C--N 1.278 -2.503 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.7 153.84 8.55 Favored Glycine 0 N--CA 1.422 -2.271 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -61.56 131.24 34.9 Favored 'Trans proline' 0 C--O 1.241 0.67 0 C-N-CA 122.541 2.161 . . . . 0.0 109.966 174.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.4 t -102.66 151.77 21.98 Favored 'General case' 0 C--N 1.286 -2.195 0 C-N-CA 123.751 0.82 . . . . 0.0 109.341 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -132.5 -38.22 1.04 Allowed 'General case' 0 C--N 1.315 -0.899 0 O-C-N 123.514 0.509 . . . . 0.0 112.087 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.2 m -112.3 138.0 49.64 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 121.745 0.783 . . . . 0.0 113.109 -173.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' HA ' ' A' ' 34' ' ' ARG . 39.1 m -64.53 -44.88 89.43 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 123.809 0.843 . . . . 0.0 112.236 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.33 -37.22 93.68 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.531 -0.366 . . . . 0.0 113.516 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 p -72.98 -32.13 64.99 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.385 0.612 . . . . 0.0 110.085 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -69.21 -48.13 62.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.978 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.98 -48.21 78.93 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 124.396 1.078 . . . . 0.0 111.116 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.88 -47.01 60.65 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.154 0.982 . . . . 0.0 110.509 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.462 ' CE1' HG23 ' A' ' 9' ' ' THR . 59.0 t60 -65.95 -47.88 73.19 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.329 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.8 m -64.99 -32.34 74.01 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -78.66 -56.62 4.28 Favored 'General case' 0 N--CA 1.42 -1.97 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -71.92 -42.3 66.87 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -174.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -96.77 -48.04 5.63 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.012 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -93.61 -4.65 50.41 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.424 -0.911 . . . . 0.0 112.753 -173.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.7 m80 55.11 34.43 22.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.805 1.242 . . . . 0.0 113.85 172.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD12 ' CB ' ' A' ' 43' ' ' CYS . 78.9 mt -101.42 -174.3 2.57 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -69.35 -56.51 7.28 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.052 0.454 . . . . 0.0 112.186 -170.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 m -151.63 178.8 8.97 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.22 152.19 23.49 Favored Glycine 0 N--CA 1.417 -2.575 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.556 ' HA ' HG23 ' A' ' 17' ' ' THR . 64.1 mtm180 -136.93 145.34 44.14 Favored 'General case' 0 CA--C 1.447 -2.984 0 CA-C-O 122.146 0.974 . . . . 0.0 111.737 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 t -104.34 92.5 4.36 Favored 'General case' 0 C--N 1.255 -3.503 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 59.8 mtp180 -82.15 178.02 8.49 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 114.524 -1.216 . . . . 0.0 112.637 -171.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -70.89 11.31 0.4 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.184 0.993 . . . . 0.0 113.264 -173.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.43 -7.17 48.34 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 66.44 30.12 8.88 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 122.451 1.12 . . . . 0.0 108.743 -173.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -130.71 151.61 50.97 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.26 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.0 t -85.67 127.36 34.47 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.418 -1.264 . . . . 0.0 108.839 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.546 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 61.6 m95 -115.65 136.3 53.2 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.436 ' CB ' HD12 ' A' ' 30' ' ' LEU . 63.1 m -108.87 140.15 42.72 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.1 t -121.44 152.36 39.17 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.479 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -143.51 142.43 31.14 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.54 142.04 58.56 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.427 -1.588 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 178.411 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.8 mptt . . . . . 0 CA--C 1.511 -0.523 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.3 p -118.58 130.85 56.12 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 120.717 0.294 . . . . 0.0 110.395 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.9 m -122.58 146.62 47.27 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.405 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.4 tt0 -130.03 136.04 48.95 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.612 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -141.32 155.44 45.96 Favored 'General case' 0 CA--C 1.482 -1.67 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.789 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.24 140.48 44.57 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 124.067 0.947 . . . . 0.0 111.405 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -78.85 93.26 4.98 Favored 'General case' 0 N--CA 1.413 -2.286 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.27 -13.61 61.95 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.576 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -97.06 4.66 51.27 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-O 122.596 1.188 . . . . 0.0 109.127 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -111.49 112.96 25.06 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -122.56 131.17 53.71 Favored 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.03 160.87 10.08 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.42 119.54 6.56 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.365 2.043 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.79 122.54 24.21 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -97.27 -41.7 8.15 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.854 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.6 p -135.52 154.27 51.45 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 120.793 0.33 . . . . 0.0 111.489 -176.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.48 HG23 ' HA ' ' A' ' 34' ' ' ARG . 19.4 m -61.77 -31.34 71.53 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.202 173.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.08 -31.61 81.39 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.745 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 t -76.0 -26.49 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.014 0.912 . . . . 0.0 108.818 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -84.87 -50.76 7.26 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.79 -177.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.74 -45.69 81.81 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 123.725 0.81 . . . . 0.0 111.577 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.21 -48.13 81.31 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.06 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -59.19 -49.15 78.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.594 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.5 m -63.69 -31.07 72.12 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -84.13 -53.08 5.77 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -64.72 -50.52 66.61 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.969 0.908 . . . . 0.0 111.662 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -96.38 -51.33 4.41 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -174.307 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -88.28 -12.71 42.79 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 119.225 -0.99 . . . . 0.0 112.817 -171.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.1 m80 59.44 36.88 23.24 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.566 1.146 . . . . 0.0 112.72 175.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -102.15 -170.64 1.84 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.48 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -63.46 -62.37 1.72 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.577 0.703 . . . . 0.0 111.79 -172.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 m -157.91 -176.41 5.91 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 -177.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.11 139.05 7.87 Favored Glycine 0 N--CA 1.421 -2.331 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.48 ' HA ' HG23 ' A' ' 17' ' ' THR . 70.9 mtm180 -127.53 145.99 50.67 Favored 'General case' 0 CA--C 1.465 -2.3 0 CA-C-O 122.165 0.983 . . . . 0.0 112.057 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.6 t -92.73 121.38 34.07 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 113.622 -1.627 . . . . 0.0 107.413 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 34.6 mtp180 -116.83 174.45 6.08 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.729 -0.789 . . . . 0.0 112.858 -175.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -66.79 1.23 1.93 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.853 1.261 . . . . 0.0 114.403 -173.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.04 -5.34 59.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 69.49 20.71 7.08 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 124.44 1.096 . . . . 0.0 108.705 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -121.5 160.56 23.98 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.479 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -84.05 139.3 32.59 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.894 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 47.1 m95 -125.08 120.75 32.33 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 123.849 0.859 . . . . 0.0 108.98 177.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 81.6 m -91.9 132.31 36.58 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 m -94.95 138.15 33.08 Favored 'General case' 0 N--CA 1.402 -2.856 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -133.31 140.19 47.29 Favored 'General case' 0 C--N 1.282 -2.337 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.91 126.61 30.18 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.272 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.285 -2.232 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? . . . . . 0 CA--C 1.492 -1.27 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 p -132.33 121.85 24.18 Favored 'General case' 0 N--CA 1.412 -2.359 0 CA-C-O 121.708 0.766 . . . . 0.0 109.318 173.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.4 m -99.68 130.87 45.94 Favored 'General case' 0 C--N 1.257 -3.438 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.3 tt0 -126.21 131.8 51.89 Favored 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -137.91 161.72 35.91 Favored 'General case' 0 CA--C 1.471 -2.059 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.54 144.32 53.15 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.553 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 120.91 14.47 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -74.91 -31.11 61.47 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.253 -172.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 p -100.66 11.71 38.95 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.518 0.675 . . . . 0.0 112.177 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -110.19 108.55 18.72 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -121.17 98.79 6.15 Favored 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.739 -173.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.5 -179.0 24.74 Favored Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.24 139.13 20.87 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.414 2.076 . . . . 0.0 111.675 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 t -110.72 139.39 46.05 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.084 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -136.13 9.67 3.26 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.323 0.389 . . . . 0.0 110.761 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.7 m -146.22 118.39 8.33 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.081 0.467 . . . . 0.0 111.217 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.587 ' OG1' ' HA ' ' A' ' 34' ' ' ARG . 5.5 t -74.51 -26.11 59.78 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -175.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.5 -34.68 85.07 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.8 t -77.25 -28.73 53.67 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.79 -47.25 60.51 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.7 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.48 -49.41 77.43 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -47.11 -50.45 20.11 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 124.24 0.963 . . . . 0.0 110.36 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -62.43 -51.76 66.25 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.733 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.6 m -66.6 -28.16 68.28 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -77.15 -66.52 0.82 Allowed 'General case' 0 N--CA 1.427 -1.609 0 CA-C-O 121.169 0.509 . . . . 0.0 110.534 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -67.15 -45.74 76.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.204 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -91.21 -42.15 10.59 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -105.1 -3.61 22.89 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -172.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 56.73 35.12 25.73 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.797 1.239 . . . . 0.0 112.956 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -102.72 -176.9 3.23 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.552 -0.718 . . . . 0.0 111.908 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 44' ' ' THR . 17.1 ttp180 -60.73 -57.15 13.89 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 123.928 0.767 . . . . 0.0 111.757 -171.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 m -158.92 178.05 10.5 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.75 140.79 11.04 Favored Glycine 0 C--N 1.282 -2.451 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.587 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 74.8 mtm180 -132.93 141.86 48.58 Favored 'General case' 0 CA--C 1.461 -2.46 0 CA-C-O 122.378 1.085 . . . . 0.0 111.748 178.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 27.0 t -100.22 105.07 16.61 Favored 'General case' 0 C--N 1.254 -3.548 0 CA-C-N 113.465 -1.698 . . . . 0.0 107.237 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.678 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 57.0 mtp180 -84.46 163.53 19.39 Favored 'General case' 0 C--N 1.286 -2.189 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.523 -176.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -75.87 12.44 1.09 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.798 1.285 . . . . 0.0 110.369 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' A' ' 36' ' ' ARG . 35.0 t70 -78.31 -9.85 59.42 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 113.068 -1.878 . . . . 0.0 107.535 170.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 72.84 20.34 3.63 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 125.823 1.649 . . . . 0.0 111.859 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -131.57 159.89 36.89 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.58 121.74 31.29 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.089 -0.96 . . . . 0.0 108.667 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.678 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 63.1 m95 -114.21 119.01 35.59 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.243 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.19 134.26 34.1 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 7.1 t -110.84 152.22 26.93 Favored 'General case' 0 N--CA 1.412 -2.35 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -175.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -152.25 152.69 32.51 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -81.94 139.34 34.66 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.294 -1.828 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.162 179.756 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 57.3 mttp . . . . . 0 CA--C 1.498 -1.029 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -121.2 130.21 53.59 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 121.987 0.898 . . . . 0.0 110.71 177.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.48 136.41 53.11 Favored 'General case' 0 C--N 1.27 -2.86 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -133.15 144.81 50.13 Favored 'General case' 0 C--N 1.292 -1.908 0 C-N-CA 119.541 -0.863 . . . . 0.0 109.043 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -159.28 168.44 26.45 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.61 146.46 53.84 Favored 'General case' 0 N--CA 1.403 -2.785 0 C-N-CA 123.744 0.818 . . . . 0.0 111.772 -176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 136.75 58.02 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.793 175.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -76.38 -41.17 48.94 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.31 0.576 . . . . 0.0 111.304 -173.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 p -105.72 12.6 30.8 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -99.33 104.74 16.66 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -98.42 131.68 44.49 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.158 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.43 -177.08 31.9 Favored Glycine 0 C--O 1.25 1.133 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.63 174.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -72.41 146.06 44.1 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.99 2.46 . . . . 0.0 111.906 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.1 t -104.25 142.23 34.89 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.523 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -126.91 -3.4 6.47 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.158 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.2 m -152.73 125.9 8.59 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 121.891 -0.506 . . . . 0.0 112.061 -173.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 34' ' ' ARG . 21.3 m -63.8 -33.22 75.18 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.54 0.736 . . . . 0.0 110.862 176.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.57 -21.74 65.15 Favored Glycine 0 C--O 1.225 -0.461 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.094 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 t -86.02 -42.54 13.89 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.22 -50.09 62.04 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.966 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 14.4 t70 -58.38 -47.12 84.87 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.914 0.388 . . . . 0.0 110.603 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.17 -46.94 72.46 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.34 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -67.42 -51.49 51.06 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.652 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.1 m -64.63 -32.74 74.54 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 5.7 mmtp -81.21 -57.68 3.4 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -81.85 -34.69 29.98 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 1.3 tmtp? -91.35 -52.33 4.85 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.633 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -90.75 -8.99 48.27 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -173.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.488 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 83.5 m-70 60.36 32.36 20.64 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.59 1.156 . . . . 0.0 114.026 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -95.91 -168.03 1.69 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 56.2 ttt180 -65.7 -61.25 2.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.027 0.441 . . . . 0.0 111.877 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.3 m -160.03 -176.32 5.6 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.5 141.21 9.09 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.503 ' HA ' HG23 ' A' ' 17' ' ' THR . 79.8 mtm180 -131.72 146.85 52.39 Favored 'General case' 0 CA--C 1.463 -2.394 0 CA-C-O 122.289 1.042 . . . . 0.0 112.611 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -99.31 107.66 19.99 Favored 'General case' 0 C--N 1.271 -2.82 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -101.87 -177.49 3.43 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.02 -21.04 64.56 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.197 1.399 . . . . 0.0 112.067 -177.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.03 -7.83 53.01 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.097 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 65.43 26.71 11.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.053 1.341 . . . . 0.0 111.717 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -126.03 159.19 33.4 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.763 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.02 119.11 25.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.086 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -110.19 120.16 41.57 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.5 m -92.39 133.02 36.28 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.9 m -89.65 136.59 32.95 Favored 'General case' 0 N--CA 1.409 -2.48 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -134.21 136.25 43.56 Favored 'General case' 0 C--N 1.287 -2.11 0 CA-C-O 121.34 0.591 . . . . 0.0 110.108 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.508 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 92.1 m-20 -74.39 135.22 42.41 Favored 'General case' 0 N--CA 1.405 -2.698 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.118 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.284 -2.259 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.52 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 N--CA 1.428 -1.55 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 23.6 tt0 -138.42 133.05 32.32 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.52 -172.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -145.05 165.56 27.88 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.97 145.69 55.59 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 123.688 0.795 . . . . 0.0 112.389 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.18 126.65 30.21 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -75.06 -45.38 41.91 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.024 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -95.91 17.11 15.98 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -103.88 98.86 8.64 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -102.22 108.59 20.01 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.816 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.47 172.51 12.56 Favored Glycine 0 N--CA 1.432 -1.579 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -75.2 154.15 41.36 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.187 1.925 . . . . 0.0 111.327 176.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.6 t -107.65 141.62 38.86 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.48 -19.84 5.75 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.995 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -144.29 138.54 28.0 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.82 -0.55 . . . . 0.0 110.664 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 34' ' ' ARG . 22.8 m -61.07 -37.48 82.82 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.3 -30.04 60.88 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 121.475 -0.393 . . . . 0.0 113.029 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -75.8 -43.73 44.79 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.4 -46.4 70.1 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.814 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 20.9 t70 -63.08 -39.87 96.0 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.83 -176.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 26' ' ' ASN . 21.8 t70 -63.34 -42.64 98.96 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -58.97 -49.61 77.23 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.981 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.9 m -69.32 -36.86 77.4 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 49.0 mttp -77.78 -58.56 3.2 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.385 0.612 . . . . 0.0 112.003 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.522 ' HB3' ' O ' ' A' ' 22' ' ' ASP . 12.8 t30 -72.48 -44.54 62.13 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 124.375 1.07 . . . . 0.0 112.748 -173.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -93.39 -48.04 6.6 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.517 -0.873 . . . . 0.0 112.276 -177.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -93.65 -7.08 44.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 85.6 m-70 53.66 45.74 27.39 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -110.11 -171.89 1.93 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.423 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -65.29 -66.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.926 0.87 . . . . 0.0 111.55 -172.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -144.41 177.02 8.94 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.15 135.8 6.22 Favored Glycine 0 N--CA 1.411 -2.981 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HA ' HG23 ' A' ' 17' ' ' THR . 79.7 mtm180 -128.02 144.48 51.11 Favored 'General case' 0 CA--C 1.457 -2.603 0 CA-C-O 122.442 1.115 . . . . 0.0 112.82 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 6.8 t -97.3 104.33 16.34 Favored 'General case' 0 C--N 1.271 -2.809 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -94.68 178.6 5.53 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 119.467 -0.893 . . . . 0.0 112.954 -171.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.23 -26.4 66.38 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.575 1.15 . . . . 0.0 112.064 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.59 4.37 18.76 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.073 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 69.41 10.01 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 173.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -111.76 165.35 12.13 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.865 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.6 124.05 33.67 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.425 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.438 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 45.6 m95 -116.54 127.64 54.71 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -95.23 132.6 40.02 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.3 m -94.3 139.49 31.0 Favored 'General case' 0 N--CA 1.407 -2.591 0 N-CA-C 105.701 -1.963 . . . . 0.0 105.701 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -138.46 144.68 40.2 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 117.977 0.353 . . . . 0.0 110.097 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -72.72 133.91 44.78 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.6 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.07 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 89.3 m . . . . . 0 N--CA 1.435 -1.206 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.47 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 31.2 tt0 -127.32 141.12 51.78 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.444 -171.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -145.32 159.4 43.09 Favored 'General case' 0 CA--C 1.481 -1.702 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.51 140.49 58.88 Favored 'General case' 0 N--CA 1.414 -2.269 0 C-N-CA 123.572 0.749 . . . . 0.0 110.143 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 10' ' ' TYR . . . -61.04 136.31 58.04 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -82.19 -38.34 24.75 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.795 -173.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.0 p -107.81 8.44 28.75 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -175.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.454 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 2.1 t80 -106.06 126.2 51.91 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 176.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -141.04 129.55 22.6 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.94 175.74 14.35 Favored Glycine 0 N--CA 1.427 -1.945 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.11 108.75 1.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.06 2.507 . . . . 0.0 111.778 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 t -84.85 135.61 34.01 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.079 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -121.5 -33.99 3.53 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.965 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.9 m -115.92 124.98 51.94 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 121.527 0.68 . . . . 0.0 112.385 -173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.602 HG23 ' HA ' ' A' ' 34' ' ' ARG . 18.0 m -59.62 -38.48 81.43 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.416 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.66 -36.53 79.03 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.739 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -70.65 -44.1 67.79 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.35 0.595 . . . . 0.0 109.413 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.75 -47.64 84.29 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.331 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 12.9 t70 -55.99 -52.85 62.72 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.615 1.166 . . . . 0.0 112.175 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.79 -43.05 94.61 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.617 0.573 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -59.73 -50.73 72.71 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.23 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.5 m -64.24 -37.03 86.02 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.666 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.85 -49.32 30.9 Favored 'General case' 0 N--CA 1.425 -1.709 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -81.14 -50.72 9.27 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -173.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -92.16 -35.86 13.62 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.586 -0.846 . . . . 0.0 111.531 -173.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -96.21 -7.75 34.84 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 119.617 -0.833 . . . . 0.0 112.683 -177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 47.45 53.5 10.93 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.861 1.264 . . . . 0.0 111.754 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.8 mt -116.11 -170.07 1.73 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.503 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -65.05 -68.31 0.37 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.355 0.598 . . . . 0.0 111.115 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 m -155.91 -178.45 7.31 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' N ' ' HA ' ' A' ' 21' ' ' ASP . . . -141.1 145.06 15.43 Favored Glycine 0 N--CA 1.418 -2.535 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.602 ' HA ' HG23 ' A' ' 17' ' ' THR . 63.3 mtm180 -133.12 143.92 49.59 Favored 'General case' 0 CA--C 1.456 -2.649 0 CA-C-O 122.164 0.983 . . . . 0.0 112.244 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.0 t -99.95 110.81 23.14 Favored 'General case' 0 C--N 1.267 -2.985 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.155 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.573 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.6 mtp180 -99.26 178.87 4.77 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.882 -175.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.99 5.73 4.0 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -173.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -80.35 -13.86 58.82 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 69.38 27.82 4.91 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -170.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -124.71 149.74 46.91 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.007 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.8 t -83.86 126.21 32.74 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.546 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 65.4 m95 -113.65 122.62 47.73 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.97 129.9 43.1 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 t -101.25 152.02 21.18 Favored 'General case' 0 N--CA 1.406 -2.67 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 3' ' ' CYS . 13.8 ptp180 -136.52 150.71 48.8 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -80.48 120.88 25.05 Favored 'General case' 0 N--CA 1.396 -3.172 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 175.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.265 -3.066 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.349 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.6 m . . . . . 0 N--CA 1.427 -1.605 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.9 tt0 -121.25 134.64 55.18 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -174.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -143.49 159.11 43.02 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.34 139.38 58.19 Favored 'General case' 0 N--CA 1.419 -1.991 0 C-N-CA 123.995 0.918 . . . . 0.0 111.348 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.15 123.6 18.59 Favored 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 123.497 0.498 . . . . 0.0 110.183 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -64.86 -41.23 95.85 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.456 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 p -108.37 13.09 25.84 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -100.38 98.64 9.26 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -104.9 123.49 47.82 Favored 'General case' 0 C--N 1.273 -2.737 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.74 179.3 15.97 Favored Glycine 0 C--O 1.259 1.686 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -82.17 145.98 13.99 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 123.128 2.552 . . . . 0.0 111.918 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.4 t -108.56 138.22 45.23 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.001 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -126.55 -4.98 6.51 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.429 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.2 m -148.0 123.5 10.39 Favored 'General case' 0 CA--C 1.558 1.258 0 O-C-N 121.452 -0.78 . . . . 0.0 112.416 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.526 HG23 ' HA ' ' A' ' 34' ' ' ARG . 45.5 m -58.25 -36.59 73.45 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.268 0.627 . . . . 0.0 111.678 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.76 -23.93 63.82 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.749 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.9 m -87.1 -36.6 18.02 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -69.7 -45.06 69.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.38 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.416 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 22.7 t70 -59.79 -41.19 90.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.039 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.31 -49.92 70.92 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.537 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -61.34 -50.72 71.8 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.298 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.6 m -66.08 -36.45 83.22 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.003 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 46.8 mttp -77.39 -57.72 3.67 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 177.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -73.35 -41.35 63.56 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -171.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 -44.63 6.93 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 118.909 -1.116 . . . . 0.0 111.176 -175.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -93.63 -7.44 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 49.89 51.84 15.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.949 1.299 . . . . 0.0 112.412 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 43' ' ' CYS . 73.2 mt -111.69 -173.87 2.34 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.654 174.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -65.7 -64.04 0.95 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.549 0.69 . . . . 0.0 111.233 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 m -148.46 178.49 8.56 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.41 136.68 6.39 Favored Glycine 0 N--CA 1.421 -2.363 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.526 ' HA ' HG23 ' A' ' 17' ' ' THR . 65.1 mtm180 -124.05 146.21 48.72 Favored 'General case' 0 CA--C 1.458 -2.573 0 CA-C-O 122.333 1.063 . . . . 0.0 112.73 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.8 t -103.73 106.12 16.54 Favored 'General case' 0 C--N 1.27 -2.851 0 CA-C-N 113.094 -1.866 . . . . 0.0 106.301 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.3 mtp180 -97.09 176.94 5.76 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.082 -171.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.37 -12.62 57.86 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.79 0.836 . . . . 0.0 113.166 -173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 40' ' ' ARG . 4.2 p-10 -87.92 4.38 45.0 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.051 177.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 64.16 26.22 13.82 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 112.0 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.491 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 24.3 mmm180 -120.15 154.76 34.29 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.044 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -89.34 125.44 35.13 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.634 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.534 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 66.2 m95 -115.7 122.09 44.47 Favored 'General case' 0 C--N 1.286 -2.165 0 C-N-CA 123.992 0.917 . . . . 0.0 109.073 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.409 ' HB3' HD12 ' A' ' 30' ' ' LEU . 69.4 m -96.65 134.57 39.74 Favored 'General case' 0 C--N 1.285 -2.231 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.5 t -113.95 146.48 40.04 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -143.73 151.43 40.01 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -69.36 127.71 33.99 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--N 1.29 -2.018 0 CA-C-O 119.036 -0.507 . . . . 0.0 110.182 -178.237 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 N--CA 1.432 -1.356 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.444 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 32.2 tt0 -146.87 132.3 18.62 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -145.56 157.12 44.03 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.7 mt -54.23 140.41 32.84 Favored 'General case' 0 N--CA 1.42 -1.959 0 C-N-CA 124.74 1.216 . . . . 0.0 111.813 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.59 129.56 41.67 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.307 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -62.71 -44.92 94.99 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 123.331 0.652 . . . . 0.0 111.558 -174.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 p -106.8 18.85 21.3 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -174.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.538 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 42.6 t80 -100.43 89.6 4.01 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 119.694 -0.802 . . . . 0.0 108.848 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -96.74 94.66 7.42 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.104 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.2 175.16 22.05 Favored Glycine 0 N--CA 1.43 -1.733 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -69.69 147.35 63.1 Favored 'Trans proline' 0 C--O 1.252 1.188 0 C-N-CA 122.895 2.397 . . . . 0.0 111.743 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.538 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 47.0 t -88.38 141.13 28.79 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.937 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -92.17 -70.17 0.71 Allowed 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.174 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 p -142.58 170.03 16.46 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.698 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 33' ' ' GLY . 23.7 m -61.69 -32.22 72.41 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.188 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.05 -36.26 92.04 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.711 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.9 p -83.18 -33.09 26.26 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 117.291 0.546 . . . . 0.0 110.308 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.83 -47.51 65.84 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.044 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.416 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 18.6 t70 -62.97 -39.81 95.82 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.007 0.523 . . . . 0.0 110.131 -178.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -51.82 -47.62 64.24 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.256 175.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -68.54 -49.52 58.92 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.768 -1.106 . . . . 0.0 111.32 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.9 m -65.84 -31.64 72.71 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 46.8 mttp -81.22 -62.88 1.53 Allowed 'General case' 0 N--CA 1.423 -1.807 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -67.93 -44.89 75.82 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -172.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -88.72 -47.06 8.51 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.392 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.9 -9.0 29.4 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -171.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.4 m80 56.25 38.47 29.83 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.873 0.869 . . . . 0.0 112.589 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -102.81 -165.46 1.18 Allowed 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.976 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' THR . 6.3 tpm_? -69.79 -69.67 0.33 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.772 0.796 . . . . 0.0 111.232 -175.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -149.89 -178.84 6.7 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' THR . . . -146.44 128.65 3.09 Favored Glycine 0 N--CA 1.414 -2.819 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 176.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -121.41 144.78 48.49 Favored 'General case' 0 CA--C 1.46 -2.512 0 CA-C-O 122.638 1.209 . . . . 0.0 112.828 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.2 t -97.93 110.25 22.86 Favored 'General case' 0 N--CA 1.399 -2.99 0 CA-C-N 112.991 -1.913 . . . . 0.0 107.674 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.525 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 30.7 mtp180 -96.12 169.45 9.95 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.78 -176.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -78.04 7.02 6.7 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 122.738 1.256 . . . . 0.0 110.117 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -78.85 -17.82 55.02 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 112.74 -2.027 . . . . 0.0 108.209 172.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 69.78 17.23 7.72 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 125.547 1.539 . . . . 0.0 113.662 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -121.17 157.19 30.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 174.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.4 t -83.83 128.16 34.34 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 123.442 0.464 . . . . 0.0 110.082 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 47.1 m95 -116.61 116.74 28.14 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.708 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.5 m -87.68 130.71 34.71 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 24.0 m -84.96 145.74 27.59 Favored 'General case' 0 N--CA 1.406 -2.631 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -143.77 139.61 29.49 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 121.348 0.594 . . . . 0.0 110.429 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.22 133.83 47.44 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.509 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 C--N 1.297 -1.692 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.1 m . . . . . 0 CA--C 1.501 -0.928 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.471 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 33.8 tt0 -126.37 126.85 44.57 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 -178.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.67 156.95 45.11 Favored 'General case' 0 CA--C 1.484 -1.585 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -176.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.81 143.2 43.08 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 124.437 1.095 . . . . 0.0 112.664 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.28 133.83 48.39 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -84.9 -36.13 21.69 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -172.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.412 HG21 ' HE3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -101.75 15.27 29.46 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.694 0.759 . . . . 0.0 110.535 -176.281 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.476 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 25.1 t80 -93.93 108.59 20.37 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -98.17 123.59 42.3 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.292 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.8 -176.09 21.94 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.825 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.23 155.24 32.89 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 C-N-CA 122.68 2.253 . . . . 0.0 111.057 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 42.4 t -88.06 152.56 21.93 Favored 'General case' 0 N--CA 1.408 -2.527 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.837 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -113.97 -54.88 2.56 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.74 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -139.51 150.37 45.04 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.208 -176.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 34' ' ' ARG . 42.8 m -55.54 -47.59 76.09 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.852 0.861 . . . . 0.0 112.579 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.47 -29.77 70.12 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.353 -0.451 . . . . 0.0 113.644 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 t -78.05 -39.15 42.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.07 -43.65 86.76 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.12 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.54 -46.32 89.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 123.792 0.837 . . . . 0.0 109.977 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -56.22 -51.93 66.3 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.161 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -57.06 -48.88 77.48 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.548 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -65.26 -41.67 94.04 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -76.0 -49.15 18.46 Favored 'General case' 0 N--CA 1.426 -1.638 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -75.03 -54.87 6.41 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-O 121.058 0.456 . . . . 0.0 111.967 -175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HE3' HG21 ' A' ' 9' ' ' THR . 21.2 tptp -86.4 -52.09 5.82 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -78.37 -18.43 55.11 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.609 0.718 . . . . 0.0 111.806 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.8 m80 67.18 31.21 6.83 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 114.172 -1.376 . . . . 0.0 111.492 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -98.96 -167.03 1.43 Allowed 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.879 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.542 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 13.2 ttp180 -82.56 -57.81 3.18 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.925 0.393 . . . . 0.0 111.663 -169.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.5 m -151.91 -179.25 7.31 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -151.64 144.07 11.22 Favored Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.503 ' HA ' HG23 ' A' ' 17' ' ' THR . 54.5 mtm180 -132.4 154.19 50.06 Favored 'General case' 0 CA--C 1.464 -2.35 0 CA-C-O 122.626 1.203 . . . . 0.0 112.639 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 t -111.27 99.08 7.97 Favored 'General case' 0 C--N 1.268 -2.935 0 CA-C-N 113.127 -1.851 . . . . 0.0 107.28 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -89.02 -178.98 5.83 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.566 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.03 -23.85 65.73 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -80.12 0.37 32.42 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.983 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 63.54 26.68 14.82 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.129 0.972 . . . . 0.0 113.278 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -116.74 154.29 30.9 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -79.89 117.13 20.47 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.865 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.471 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 49.5 m95 -109.68 116.9 32.56 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.003 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.432 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 78.0 m -85.58 130.88 34.47 Favored 'General case' 0 C--N 1.277 -2.553 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -93.84 137.22 33.31 Favored 'General case' 0 N--CA 1.403 -2.794 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.542 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 8.3 ptm180 -143.92 159.65 42.19 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 119.262 -0.975 . . . . 0.0 113.207 -175.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -73.37 123.29 23.52 Favored 'General case' 0 N--CA 1.388 -3.53 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.254 -3.581 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -170.879 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HB2' ' HG3' ' A' ' 45' ' ' ARG . 95.9 m . . . . . 0 N--CA 1.417 -2.116 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 26.8 tt0 -143.03 135.17 27.14 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.02 -176.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -140.32 168.65 19.32 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -71.41 146.35 48.76 Favored 'General case' 0 C--N 1.291 -1.96 0 C-N-CA 123.739 0.816 . . . . 0.0 111.713 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.6 139.68 45.7 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -92.74 -32.55 14.66 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.604 -173.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -102.38 3.41 37.85 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.642 0.734 . . . . 0.0 112.412 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -99.54 84.56 2.98 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -96.33 121.13 37.79 Favored 'General case' 0 C--N 1.275 -2.663 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.126 -175.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.88 -170.72 19.3 Favored Glycine 0 C--N 1.301 -1.399 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -173.11 1.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.529 2.153 . . . . 0.0 111.052 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.8 m -69.43 119.58 13.91 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.728 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.96 -56.51 3.52 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 169.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.66 141.97 14.9 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.182 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.51 HG23 ' HA ' ' A' ' 34' ' ' ARG . 63.3 m -57.28 -47.55 81.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.873 0.869 . . . . 0.0 110.646 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.99 -35.69 92.44 Favored Glycine 0 C--O 1.224 -0.477 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.718 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -78.23 -26.12 47.21 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.223 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.5 t -65.91 -43.82 87.05 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.438 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 28.8 t70 -61.2 -54.56 42.7 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.293 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.7 -40.91 80.56 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.106 0.479 . . . . 0.0 110.709 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -59.23 -53.45 58.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.83 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.69 -36.39 82.75 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.587 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -71.04 -55.88 7.32 Favored 'General case' 0 N--CA 1.421 -1.881 0 C-N-CA 122.87 0.468 . . . . 0.0 112.079 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -73.36 -59.58 2.65 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -81.16 -37.27 29.05 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-O 120.892 0.377 . . . . 0.0 111.822 -170.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -104.89 1.06 28.56 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 119.15 -1.02 . . . . 0.0 113.065 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 56.97 29.16 15.88 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.55 1.14 . . . . 0.0 112.626 171.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.0 mt -101.92 -170.33 1.8 Allowed 'General case' 0 C--N 1.31 -1.151 0 O-C-N 121.967 -0.458 . . . . 0.0 111.872 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -71.31 -63.75 1.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.351 0.66 . . . . 0.0 112.397 -173.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 m -149.45 -179.12 6.83 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.438 ' N ' ' HA ' ' A' ' 21' ' ' ASP . . . -151.74 146.1 14.52 Favored Glycine 0 N--CA 1.422 -2.248 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 176.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.51 ' HA ' HG23 ' A' ' 17' ' ' THR . 41.8 mtm180 -147.97 156.92 43.2 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.863 0.84 . . . . 0.0 112.219 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.9 t -90.61 130.54 36.62 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 113.907 -1.497 . . . . 0.0 107.035 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.641 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 56.0 mtp180 -115.32 172.62 6.97 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.377 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.24 -14.83 28.82 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -174.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' OD2' ' HB2' ' A' ' 40' ' ' ARG . 4.4 p-10 -89.37 7.85 33.68 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 123.096 0.558 . . . . 0.0 111.68 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 66.55 20.16 10.83 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.06 1.344 . . . . 0.0 112.754 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 21.8 mmm180 -115.75 155.3 28.05 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.234 0.54 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -86.9 121.55 29.53 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.632 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.641 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 55.5 m95 -110.83 128.27 55.71 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.2 m -98.27 130.46 44.97 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -88.46 149.59 23.59 Favored 'General case' 0 N--CA 1.407 -2.602 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HG3' ' HB2' ' A' ' 3' ' ' CYS . 2.0 ptp180 -140.1 142.59 36.07 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -71.9 138.54 48.23 Favored 'General case' 0 N--CA 1.414 -2.242 0 CA-C-O 121.512 0.672 . . . . 0.0 112.082 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 C--N 1.286 -2.153 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 176.886 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 N--CA 1.43 -1.473 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -145.42 131.8 19.63 Favored 'General case' 0 N--CA 1.416 -2.133 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -147.82 164.64 33.02 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.498 ' H ' HD12 ' A' ' 6' ' ' LEU . 4.9 mp -74.54 145.22 43.63 Favored 'General case' 0 N--CA 1.383 -3.82 0 C-N-CA 122.633 0.373 . . . . 0.0 110.194 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.53 118.91 10.81 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.418 ' ND2' HG23 ' A' ' 9' ' ' THR . 3.3 p-10 -75.8 -23.48 55.86 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.347 -172.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' ND2' ' A' ' 8' ' ' ASN . 2.7 p -106.31 5.8 29.99 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 54.4 t80 -94.18 103.94 15.97 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 174.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -105.01 111.83 24.75 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.748 -171.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.45 -166.11 15.99 Favored Glycine 0 N--CA 1.432 -1.628 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.919 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -81.13 147.42 16.42 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 123.317 2.678 . . . . 0.0 112.24 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.508 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 51.7 t -83.13 128.55 34.59 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.114 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -106.47 -31.58 8.48 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.2 m -152.52 136.63 16.49 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 121.738 -0.601 . . . . 0.0 111.444 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.498 HG23 ' HA ' ' A' ' 34' ' ' ARG . 26.3 m -58.25 -44.81 88.5 Favored 'General case' 0 C--O 1.208 -1.097 0 C-N-CA 124.096 0.958 . . . . 0.0 111.001 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.83 -30.3 69.22 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.877 -0.201 . . . . 0.0 112.847 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -78.56 -42.91 27.93 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -59.6 -50.53 73.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.344 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 17.8 t70 -54.65 -49.35 70.77 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 124.415 1.086 . . . . 0.0 110.446 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.2 -46.27 83.02 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 123.676 0.61 . . . . 0.0 111.003 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -60.65 -47.35 86.63 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.701 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -65.46 -34.99 79.57 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.294 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 70.8 mmtt -66.66 -68.84 0.34 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.754 0.788 . . . . 0.0 110.973 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.27 -47.17 45.18 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.738 -1.119 . . . . 0.0 113.267 -171.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -85.75 -49.2 8.13 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.226 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -94.57 -0.71 54.32 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 119.362 -0.935 . . . . 0.0 113.169 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 56.08 36.37 27.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.176 0.99 . . . . 0.0 113.088 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -107.57 -172.8 2.14 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.779 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 2.1 tmt_? -73.73 -57.93 3.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.678 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 m -153.56 -178.29 6.91 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.9 140.29 7.95 Favored Glycine 0 N--CA 1.426 -1.988 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.498 ' HA ' HG23 ' A' ' 17' ' ' THR . 77.0 mtm180 -130.91 149.18 52.66 Favored 'General case' 0 CA--C 1.457 -2.608 0 CA-C-O 122.538 1.161 . . . . 0.0 113.031 -178.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 t -94.19 96.82 9.85 Favored 'General case' 0 N--CA 1.401 -2.876 0 CA-C-N 112.848 -1.978 . . . . 0.0 107.483 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 57.5 mtp180 -87.18 161.03 18.29 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.731 -176.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -75.32 76.14 2.42 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.187 0.994 . . . . 0.0 108.906 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -163.14 9.17 0.05 Allowed 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 113.361 -1.745 . . . . 0.0 108.28 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 56.21 19.01 3.59 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 124.268 1.027 . . . . 0.0 112.93 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -125.48 145.81 49.92 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 121.698 0.761 . . . . 0.0 112.208 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.5 t -82.8 121.72 27.27 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 113.762 -1.563 . . . . 0.0 108.405 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 54.3 m95 -113.42 115.96 28.89 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.22 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.0 m -82.78 136.49 34.66 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 t -125.02 148.65 48.38 Favored 'General case' 0 N--CA 1.407 -2.62 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 12.9 ptm180 -149.44 160.08 43.75 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -76.97 143.86 39.15 Favored 'General case' 0 N--CA 1.391 -3.378 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.294 -1.807 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 177.036 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 N--CA 1.428 -1.565 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.511 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 39.6 tt0 -102.69 113.05 26.12 Favored 'General case' 0 C--N 1.283 -2.307 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -137.39 152.74 49.99 Favored 'General case' 0 CA--C 1.47 -2.109 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.2 mt -52.2 139.93 22.52 Favored 'General case' 0 N--CA 1.424 -1.773 0 O-C-N 124.802 1.314 . . . . 0.0 112.062 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.55 148.28 20.02 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.294 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -85.97 -36.99 19.48 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.892 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 m -116.86 22.93 12.29 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.748 0.785 . . . . 0.0 111.089 -173.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -104.22 127.62 51.86 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -143.22 110.59 5.77 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.45 -177.71 21.47 Favored Glycine 0 C--N 1.292 -1.91 0 N-CA-C 108.926 -1.67 . . . . 0.0 108.926 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -85.93 154.49 9.94 Favored 'Trans proline' 0 N--CA 1.435 -1.918 0 CA-C-N 119.392 1.596 . . . . 0.0 111.474 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 t -112.44 160.51 17.69 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.88 -61.0 0.68 Allowed 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.527 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 24.6 m -97.83 132.88 43.04 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.018 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.543 HG23 ' HA ' ' A' ' 34' ' ' ARG . 86.5 m -56.2 -41.93 76.36 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.663 0.785 . . . . 0.0 112.005 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.02 -21.38 65.69 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.179 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.527 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 12.4 m -73.46 -35.55 65.75 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -178.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -71.12 -39.46 72.02 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.001 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 23.8 t70 -62.23 -42.06 98.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.451 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -54.64 -50.66 67.6 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.821 173.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -60.35 -51.73 68.27 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.953 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.9 m -65.9 -35.5 80.79 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.841 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 8.1 mmtp -82.36 -52.86 6.51 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -78.09 -39.61 40.94 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -175.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -91.35 -50.02 6.04 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.794 -0.762 . . . . 0.0 111.957 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.21 -9.55 41.84 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.422 -174.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 14.4 t-80 58.07 37.59 26.5 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.64 1.176 . . . . 0.0 110.957 175.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.6 mt -98.36 -170.84 2.02 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.245 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -69.98 -57.22 5.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.031 0.443 . . . . 0.0 111.995 -171.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.0 m -160.23 -179.08 7.43 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.94 147.51 18.03 Favored Glycine 0 N--CA 1.427 -1.939 0 O-C-N 123.833 0.708 . . . . 0.0 111.388 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.543 ' HA ' HG23 ' A' ' 17' ' ' THR . 54.6 mtm180 -137.08 160.22 39.6 Favored 'General case' 0 CA--C 1.473 -2.003 0 CA-C-O 121.84 0.829 . . . . 0.0 111.593 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.538 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 14.0 t -108.37 108.59 19.62 Favored 'General case' 0 C--N 1.268 -2.945 0 CA-C-N 114.254 -1.339 . . . . 0.0 108.154 -177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.691 ' HB2' ' CD1' ' A' ' 42' ' ' TRP . 44.5 mtp180 -120.6 178.45 4.68 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 62.77 12.28 5.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.798 0.839 . . . . 0.0 112.138 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.1 t70 77.27 -3.83 2.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.26 1.824 . . . . 0.0 111.601 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -171.76 15.08 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -118.4 142.75 47.23 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 119.5 1.045 . . . . 0.0 111.523 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.2 t -91.83 120.08 32.21 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.18 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.691 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 52.4 m95 -111.84 116.87 31.39 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.796 179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -96.19 129.56 43.47 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 8.6 m -90.89 136.36 33.12 Favored 'General case' 0 N--CA 1.405 -2.724 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -141.0 142.99 34.19 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -69.38 123.41 21.15 Favored 'General case' 0 N--CA 1.411 -2.376 0 CA-C-O 121.327 0.584 . . . . 0.0 109.595 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.279 -2.492 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.075 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.423 -1.785 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.409 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 30.9 tt0 -131.74 126.2 33.87 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -174.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -138.86 165.82 26.05 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.85 142.43 58.44 Favored 'General case' 0 N--CA 1.403 -2.805 0 O-C-N 123.826 0.704 . . . . 0.0 111.84 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 10' ' ' TYR . . . -63.72 121.68 14.55 Favored 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 174.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -75.04 -23.56 58.15 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.967 -174.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 p -106.35 15.27 26.3 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.786 -0.766 . . . . 0.0 112.461 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.544 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 45.6 t80 -124.26 120.02 31.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -119.32 173.11 7.15 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.18 -165.71 52.18 Favored Glycine 0 N--CA 1.434 -1.474 0 O-C-N 123.495 0.497 . . . . 0.0 112.409 177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -74.19 145.87 35.47 Favored 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 122.522 2.148 . . . . 0.0 111.538 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.544 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 27.8 t -81.38 133.79 35.47 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.265 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -84.72 -59.79 2.25 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.083 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 p -149.44 163.26 38.26 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 120.708 0.29 . . . . 0.0 111.04 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.494 HG23 ' HA ' ' A' ' 34' ' ' ARG . 30.6 m -63.5 -33.83 76.44 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 172.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.18 -43.33 95.41 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 115.657 -0.702 . . . . 0.0 113.029 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 p -81.15 -32.94 33.45 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 117.27 0.535 . . . . 0.0 110.802 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.58 -46.63 84.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.557 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -62.37 -43.98 97.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.63 0.772 . . . . 0.0 110.135 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.41 -52.01 63.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.668 0.787 . . . . 0.0 109.876 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -60.91 -51.16 70.45 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.96 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.1 m -65.05 -34.31 78.11 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.46 -48.96 12.05 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.45 -46.92 24.85 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -90.1 -49.01 6.82 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.47 -6.22 50.28 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.012 -1.075 . . . . 0.0 112.504 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.7 m80 56.06 33.5 22.01 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.758 1.223 . . . . 0.0 113.086 174.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.4 mt -100.81 -173.86 2.49 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HA ' ' HE ' ' A' ' 31' ' ' ARG . 1.1 tpm_? -60.57 -60.44 3.81 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.744 0.818 . . . . 0.0 111.664 -172.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 m -159.03 -178.94 7.6 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.63 140.16 9.65 Favored Glycine 0 C--N 1.286 -2.22 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.494 ' HA ' HG23 ' A' ' 17' ' ' THR . 23.9 mtm180 -132.56 148.56 52.37 Favored 'General case' 0 CA--C 1.469 -2.156 0 CA-C-O 122.511 1.148 . . . . 0.0 113.443 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.2 t -99.71 117.48 34.15 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 113.118 -1.856 . . . . 0.0 107.753 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -101.77 -172.07 2.09 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.648 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.73 -15.29 60.3 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.359 0.6 . . . . 0.0 111.587 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.3 -3.97 56.3 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.762 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 51.57 51.97 15.63 Favored 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 125.029 1.332 . . . . 0.0 114.208 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -133.82 160.29 38.08 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.0 t -84.78 122.82 29.67 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 123.35 0.407 . . . . 0.0 109.92 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.409 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 52.9 m95 -111.16 124.81 52.95 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.2 m -94.97 129.32 42.07 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.8 m -90.37 133.76 34.77 Favored 'General case' 0 N--CA 1.403 -2.788 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -133.03 142.9 49.04 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.255 173.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.42 128.94 33.98 Favored 'General case' 0 N--CA 1.411 -2.412 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.077 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.279 -2.496 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.508 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.435 -1.198 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 30.4 tt0 -116.03 135.74 53.67 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -140.11 167.81 21.27 Favored 'General case' 0 CA--C 1.471 -2.067 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.1 142.77 41.6 Favored 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.408 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.55 134.5 55.64 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 124.013 0.82 . . . . 0.0 109.557 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -81.18 -44.44 17.84 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.046 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 m -86.89 -11.98 49.15 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.753 0.787 . . . . 0.0 111.776 -171.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 41.8 t80 -87.47 103.32 15.4 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -178.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.54 122.24 46.25 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -178.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.91 -175.44 15.88 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.671 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.99 152.85 18.99 Favored 'Trans proline' 0 N--CA 1.44 -1.626 0 C-N-CA 122.91 2.407 . . . . 0.0 112.766 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 32.1 t -106.43 141.75 37.22 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 114.32 -1.309 . . . . 0.0 107.609 176.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.56 -22.33 7.57 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.025 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -153.99 138.94 17.22 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 120.856 0.36 . . . . 0.0 111.711 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.506 HG23 ' HA ' ' A' ' 34' ' ' ARG . 19.7 m -51.83 -39.0 58.09 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.989 1.316 . . . . 0.0 113.357 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.41 66.37 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 121.988 -0.149 . . . . 0.0 113.358 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.0 m -76.04 -26.74 56.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.599 0.714 . . . . 0.0 109.294 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.2 t -82.45 -48.88 10.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.429 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.98 -49.82 75.5 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 123.832 0.853 . . . . 0.0 112.518 -176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.44 -42.14 95.49 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -61.56 -50.04 74.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.494 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.1 m -63.31 -34.62 78.1 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.851 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -78.72 -56.11 4.66 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 120.788 0.327 . . . . 0.0 111.807 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -67.4 -54.24 22.16 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 123.707 0.803 . . . . 0.0 112.331 -174.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -93.8 -41.46 9.64 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.541 -0.464 . . . . 0.0 112.048 -171.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.251 11.5 mt-10 -95.59 -7.85 36.63 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 118.745 -1.182 . . . . 0.0 113.185 -175.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.3 m80 61.14 29.93 19.1 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -100.66 -170.37 1.85 Allowed 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.56 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 37.9 ttt180 -63.72 -65.68 0.65 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.364 0.602 . . . . 0.0 112.297 -173.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.7 m -155.91 -179.04 7.75 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 -175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.3 142.22 11.16 Favored Glycine 0 C--N 1.288 -2.111 0 N-CA-C 110.239 -1.145 . . . . 0.0 110.239 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.506 ' HA ' HG23 ' A' ' 17' ' ' THR . 60.0 mtm180 -134.09 148.79 51.07 Favored 'General case' 0 CA--C 1.465 -2.291 0 CA-C-O 122.413 1.101 . . . . 0.0 112.703 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.0 t -101.84 116.48 32.8 Favored 'General case' 0 C--N 1.272 -2.765 0 CA-C-N 113.422 -1.717 . . . . 0.0 106.866 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.662 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 69.7 mtp180 -105.46 -179.78 4.04 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.458 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.9 -15.26 61.78 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.204 0.602 . . . . 0.0 112.163 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.72 -21.71 66.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.833 0.853 . . . . 0.0 109.409 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 65.61 32.25 9.34 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.727 1.251 . . . . 0.0 107.673 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -121.99 150.72 41.67 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.769 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.9 t -83.15 120.45 25.81 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.605 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.662 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 72.1 m95 -109.59 117.61 34.4 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.068 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 70.3 m -93.2 131.0 38.69 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -96.92 144.28 26.99 Favored 'General case' 0 N--CA 1.406 -2.655 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -133.38 154.21 50.94 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.553 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 94.8 m-20 -83.76 126.94 33.42 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.283 -2.303 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.803 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 N--CA 1.431 -1.411 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 31.5 tt0 -121.71 139.41 53.61 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -171.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -146.46 163.98 33.95 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.433 HD13 ' NH1' ' A' ' 40' ' ' ARG . 72.2 mt -69.03 138.63 54.61 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 124.448 1.099 . . . . 0.0 110.947 -177.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.62 106.91 4.22 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -80.93 -6.54 58.82 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -105.26 7.92 33.7 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 122.211 1.005 . . . . 0.0 108.516 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -111.02 120.71 43.29 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -121.84 137.71 54.67 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.477 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.16 161.17 14.59 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.594 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.31 142.44 79.35 Favored 'Trans proline' 0 C--O 1.246 0.904 0 C-N-CA 122.711 2.274 . . . . 0.0 112.029 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.54 137.53 46.34 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.547 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -129.78 1.7 4.9 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.0 m -146.96 128.65 15.2 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.438 -0.789 . . . . 0.0 111.912 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 34' ' ' ARG . 26.6 m -59.7 -46.57 88.7 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.41 1.084 . . . . 0.0 111.254 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.21 -26.84 71.78 Favored Glycine 0 C--O 1.221 -0.701 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.7 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -73.87 -29.61 62.19 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.781 0.801 . . . . 0.0 109.09 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.54 -43.09 27.57 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.586 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.11 -46.78 84.99 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.939 0.496 . . . . 0.0 110.242 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -49.43 -49.65 44.16 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.535 1.134 . . . . 0.0 110.437 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.35 -52.91 42.24 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.716 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.23 -36.72 82.86 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.72 -56.62 4.44 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 121.197 0.522 . . . . 0.0 112.139 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -77.41 -40.17 44.53 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -172.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -93.02 -45.3 7.99 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.108 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -99.41 -1.22 39.22 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.14 -1.024 . . . . 0.0 113.719 -173.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.6 m80 57.8 30.68 19.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.214 1.006 . . . . 0.0 112.754 172.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.62 -171.07 1.99 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 2.3 tmt_? -72.65 -63.51 1.15 Allowed 'General case' 0 C--N 1.309 -1.168 0 O-C-N 123.187 0.305 . . . . 0.0 111.146 -171.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.0 m -147.39 -176.84 5.39 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.23 139.56 7.56 Favored Glycine 0 N--CA 1.422 -2.292 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HA ' HG23 ' A' ' 17' ' ' THR . 40.2 mtm180 -131.47 153.78 49.4 Favored 'General case' 0 CA--C 1.455 -2.707 0 CA-C-O 122.823 1.297 . . . . 0.0 111.969 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 10.1 t -107.78 108.36 19.53 Favored 'General case' 0 C--N 1.254 -3.56 0 CA-C-N 113.03 -1.896 . . . . 0.0 107.266 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.664 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 22.2 mtp180 -94.47 175.91 6.5 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.022 -174.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -76.55 1.42 16.76 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 122.384 1.088 . . . . 0.0 109.811 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.43 -10.58 59.75 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 113.821 -1.536 . . . . 0.0 108.743 174.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 68.93 18.53 8.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.827 1.251 . . . . 0.0 111.742 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.433 ' NH1' HD13 ' A' ' 6' ' ' LEU . 60.3 mtp180 -123.55 160.22 27.48 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 177.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.55 123.58 29.9 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.222 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.664 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 63.4 m95 -114.0 122.43 46.91 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.39 135.02 33.95 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.9 140.48 37.64 Favored 'General case' 0 N--CA 1.408 -2.534 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 37.7 ptt180 -140.38 152.98 46.19 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -78.83 132.64 36.93 Favored 'General case' 0 N--CA 1.419 -1.995 0 C-N-CA 123.381 0.672 . . . . 0.0 111.47 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.293 -1.864 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.518 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.0 tt0 -110.23 133.39 53.28 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.683 0.278 . . . . 0.0 110.266 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -150.01 161.3 42.61 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.7 mt -57.12 146.87 26.29 Favored 'General case' 0 C--N 1.277 -2.57 0 C-N-CA 126.236 1.814 . . . . 0.0 113.176 -175.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.31 147.16 51.53 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -98.14 -30.72 12.49 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.22 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -107.61 9.06 29.43 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -87.16 119.51 27.47 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -115.89 142.5 46.7 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.672 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.31 148.82 22.17 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.4 128.41 26.03 Favored 'Trans proline' 0 C--O 1.245 0.862 0 C-N-CA 122.314 2.009 . . . . 0.0 110.987 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.62 133.72 34.1 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.692 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -133.81 3.72 3.52 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.087 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -144.06 119.32 10.18 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.577 -0.702 . . . . 0.0 111.941 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.549 HG23 ' HA ' ' A' ' 34' ' ' ARG . 25.5 m -59.97 -36.02 76.23 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 122.694 0.398 . . . . 0.0 110.998 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.75 -26.76 69.0 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 121.466 -0.397 . . . . 0.0 112.441 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -83.95 -38.59 20.81 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.8 t -65.75 -52.13 53.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.163 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.95 -43.24 77.3 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 124.001 0.92 . . . . 0.0 110.867 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.34 -48.55 78.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.454 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.78 -46.48 81.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.466 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.83 -27.78 69.11 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.727 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -88.21 -56.77 3.18 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -67.46 -46.62 72.5 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.018 0.437 . . . . 0.0 112.13 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -92.38 -53.43 4.22 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.288 -173.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -88.93 -17.4 29.62 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -172.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 57.32 45.1 20.7 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -105.78 -169.08 1.53 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.537 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 4.5 tpm_? -60.38 -61.93 2.23 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 122.947 0.499 . . . . 0.0 112.2 -174.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.0 m -163.36 -174.49 3.8 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.54 138.36 7.14 Favored Glycine 0 N--CA 1.419 -2.484 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.549 ' HA ' HG23 ' A' ' 17' ' ' THR . 77.6 mtm180 -125.82 145.24 50.31 Favored 'General case' 0 CA--C 1.462 -2.427 0 CA-C-O 122.277 1.037 . . . . 0.0 112.05 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.4 t -104.32 111.37 23.98 Favored 'General case' 0 C--N 1.268 -2.961 0 CA-C-N 113.762 -1.563 . . . . 0.0 107.514 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -104.5 179.55 4.24 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.606 -173.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.0 -4.51 4.69 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 124.792 1.237 . . . . 0.0 111.767 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.85 -15.34 61.16 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.6 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 68.7 19.76 8.41 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.266 1.426 . . . . 0.0 110.456 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -125.58 159.49 31.99 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.511 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.0 t -86.73 125.08 33.66 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 124.187 0.929 . . . . 0.0 109.47 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 46.5 m95 -113.39 110.68 20.72 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 123.997 0.919 . . . . 0.0 109.734 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.4 m -86.74 133.23 33.68 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 8.8 m -92.56 146.19 23.86 Favored 'General case' 0 N--CA 1.404 -2.758 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -135.55 159.01 42.94 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.499 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 81.8 m-20 -69.47 136.75 51.92 Favored 'General case' 0 N--CA 1.409 -2.477 0 C-N-CA 123.361 0.664 . . . . 0.0 109.321 175.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.29 -2.001 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 176.689 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m . . . . . 0 N--CA 1.435 -1.205 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.54 146.02 51.58 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -154.36 164.65 38.28 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.62 145.11 53.21 Favored 'General case' 0 N--CA 1.413 -2.322 0 C-N-CA 124.494 1.118 . . . . 0.0 111.902 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.9 107.99 6.45 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 172.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.79 -4.87 53.95 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -170.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.1 p -116.3 9.48 14.52 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.123 173.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -101.81 89.75 3.77 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -95.39 132.7 40.15 Favored 'General case' 0 C--N 1.275 -2.662 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.761 -175.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.57 -178.47 18.07 Favored Glycine 0 N--CA 1.426 -2.007 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.77 133.66 11.56 Favored 'Trans proline' 0 N--CA 1.445 -1.344 0 C-N-CA 122.533 2.155 . . . . 0.0 111.67 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t -94.38 145.29 24.86 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -127.12 -50.15 1.44 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -112.59 138.58 49.16 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.576 HG23 ' HA ' ' A' ' 34' ' ' ARG . 23.7 m -60.03 -35.94 76.19 Favored 'General case' 0 C--O 1.211 -0.973 0 C-N-CA 123.555 0.742 . . . . 0.0 111.988 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.96 -32.73 83.15 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.166 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 m -74.98 -36.28 62.04 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.92 -48.86 62.25 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.931 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.92 -48.88 74.89 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.151 1.38 . . . . 0.0 110.999 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.45 -49.55 76.9 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 123.54 0.525 . . . . 0.0 110.72 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -60.06 -47.82 84.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.692 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.82 -36.22 83.18 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -76.23 -54.83 6.22 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-O 120.466 0.174 . . . . 0.0 111.404 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -64.77 -52.56 56.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.653 0.781 . . . . 0.0 112.435 -175.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 10.5 tmtt? -95.12 -50.27 5.14 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.606 -172.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.25 22.3 mt-10 -87.28 -6.0 58.7 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.094 -1.043 . . . . 0.0 112.637 -170.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.2 m80 62.89 26.33 15.5 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 125.279 1.432 . . . . 0.0 112.089 171.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD12 ' CB ' ' A' ' 43' ' ' CYS . 85.0 mt -97.34 -171.9 2.3 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.672 -177.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -68.69 -56.08 9.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.657 0.742 . . . . 0.0 111.019 -171.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 m -160.85 -175.44 4.94 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.05 138.36 7.7 Favored Glycine 0 N--CA 1.42 -2.42 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.576 ' HA ' HG23 ' A' ' 17' ' ' THR . 24.9 mtm180 -124.02 142.48 51.14 Favored 'General case' 0 CA--C 1.452 -2.813 0 CA-C-O 122.481 1.134 . . . . 0.0 111.943 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.1 t -96.5 125.25 40.85 Favored 'General case' 0 C--N 1.261 -3.242 0 CA-C-N 113.484 -1.689 . . . . 0.0 106.972 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.67 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.5 mtp180 -108.64 161.8 14.74 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.728 -177.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.38 -10.16 30.98 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.591 1.156 . . . . 0.0 113.643 -169.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -88.37 11.45 16.78 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.936 0.874 . . . . 0.0 110.311 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 71.03 21.97 4.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.706 1.202 . . . . 0.0 112.765 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -121.63 148.89 43.96 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.445 -0.902 . . . . 0.0 111.893 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.6 t -83.67 132.14 34.89 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.328 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.67 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 49.9 m95 -121.32 122.37 39.71 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.413 ' CB ' HD12 ' A' ' 30' ' ' LEU . 84.2 m -89.54 129.69 35.98 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 m -93.29 135.25 34.69 Favored 'General case' 0 N--CA 1.411 -2.402 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -137.31 146.97 45.28 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.644 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -63.27 127.28 30.58 Favored 'General case' 0 N--CA 1.414 -2.228 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 C--N 1.283 -2.313 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -170.175 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 N--CA 1.43 -1.462 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.43 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 26.4 tt0 -139.04 129.64 25.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -139.06 160.73 39.09 Favored 'General case' 0 CA--C 1.478 -1.79 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.68 139.35 58.31 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.426 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 10' ' ' TYR . . . -58.51 128.03 35.14 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 123.788 0.68 . . . . 0.0 109.658 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -74.79 -30.45 61.44 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.258 -172.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 p -113.43 7.88 17.71 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.452 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 47.7 t80 -98.06 106.42 18.71 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -110.13 130.57 55.52 Favored 'General case' 0 C--N 1.278 -2.502 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -175.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.83 179.11 22.17 Favored Glycine 0 N--CA 1.431 -1.664 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.561 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -66.73 151.78 81.89 Favored 'Trans proline' 0 C--O 1.247 0.934 0 C-N-CA 123.223 2.616 . . . . 0.0 112.662 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 34.7 t -121.03 145.07 48.17 Favored 'General case' 0 C--N 1.289 -2.034 0 C-N-CA 125.092 1.357 . . . . 0.0 108.614 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -124.62 -39.94 2.25 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 123.26 0.35 . . . . 0.0 110.896 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.2 p -114.04 129.41 56.61 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -175.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.614 HG23 ' HA ' ' A' ' 34' ' ' ARG . 20.0 m -62.48 -33.96 75.89 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.096 176.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.95 -36.66 93.18 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.078 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 m -76.31 -33.99 59.05 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.454 0.645 . . . . 0.0 109.471 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.6 t -66.13 -46.68 76.67 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.086 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.13 -43.18 99.12 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.998 0.428 . . . . 0.0 110.548 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.4 -44.29 76.04 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.913 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -66.48 -56.58 10.24 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.458 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.32 -36.82 81.17 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -71.95 -55.53 7.3 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -82.8 -52.71 6.49 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 121.892 -0.505 . . . . 0.0 112.073 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -71.4 -40.39 70.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.794 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -107.69 -5.46 17.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -175.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 59.17 33.14 22.6 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.879 0.872 . . . . 0.0 113.015 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.71 -172.22 2.11 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.728 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -69.17 -62.88 1.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.928 0.394 . . . . 0.0 110.759 -172.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 m -152.54 -176.64 5.8 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.38 140.75 8.99 Favored Glycine 0 N--CA 1.421 -2.316 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.614 ' HA ' HG23 ' A' ' 17' ' ' THR . 73.8 mtm180 -134.03 145.41 49.41 Favored 'General case' 0 CA--C 1.472 -2.032 0 CA-C-O 122.135 0.969 . . . . 0.0 112.035 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.0 t -106.39 98.81 8.44 Favored 'General case' 0 C--N 1.274 -2.711 0 CA-C-N 114.267 -1.333 . . . . 0.0 109.153 -176.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 24.6 mtp180 -71.39 171.33 11.42 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.99 -176.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.7 -13.84 60.08 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.393 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.19 -7.2 34.28 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 125.644 1.578 . . . . 0.0 110.646 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 65.19 35.8 7.57 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 122.106 0.955 . . . . 0.0 108.564 -175.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -132.63 143.5 49.71 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.01 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.9 t -85.29 125.25 32.76 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.54 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 53.5 m95 -116.55 126.55 53.48 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 124.452 1.101 . . . . 0.0 108.709 178.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.3 m -97.87 133.52 42.25 Favored 'General case' 0 C--N 1.284 -2.245 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 m -90.67 140.87 29.36 Favored 'General case' 0 N--CA 1.414 -2.248 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -147.66 143.06 27.38 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.008 0.432 . . . . 0.0 111.416 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -72.27 130.59 41.14 Favored 'General case' 0 N--CA 1.411 -2.384 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.286 -2.181 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.362 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.7 m . . . . . 0 N--CA 1.411 -2.389 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.546 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.6 tt0 -146.39 134.89 22.04 Favored 'General case' 0 N--CA 1.41 -2.456 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -173.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -142.74 167.15 22.76 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.56 144.61 54.51 Favored 'General case' 0 N--CA 1.401 -2.888 0 C-N-CA 123.289 0.635 . . . . 0.0 111.829 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 115.71 8.82 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -75.64 -22.52 56.71 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -171.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.462 HG23 ' CE1' ' A' ' 23' ' ' HIS . 10.1 t -111.95 14.64 20.89 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 119.579 -0.848 . . . . 0.0 111.967 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -98.9 102.08 13.68 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -103.58 127.99 50.9 Favored 'General case' 0 C--N 1.278 -2.503 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.7 153.84 8.55 Favored Glycine 0 N--CA 1.422 -2.271 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -61.56 131.24 34.9 Favored 'Trans proline' 0 C--O 1.241 0.67 0 C-N-CA 122.541 2.161 . . . . 0.0 109.966 174.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.4 t -102.66 151.77 21.98 Favored 'General case' 0 C--N 1.286 -2.195 0 C-N-CA 123.751 0.82 . . . . 0.0 109.341 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -132.5 -38.22 1.04 Allowed 'General case' 0 C--N 1.315 -0.899 0 O-C-N 123.514 0.509 . . . . 0.0 112.087 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.2 m -112.3 138.0 49.64 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 121.745 0.783 . . . . 0.0 113.109 -173.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' HA ' ' A' ' 34' ' ' ARG . 39.1 m -64.53 -44.88 89.43 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 123.809 0.843 . . . . 0.0 112.236 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.33 -37.22 93.68 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.531 -0.366 . . . . 0.0 113.516 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 p -72.98 -32.13 64.99 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.385 0.612 . . . . 0.0 110.085 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -69.21 -48.13 62.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.978 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.98 -48.21 78.93 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 124.396 1.078 . . . . 0.0 111.116 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.88 -47.01 60.65 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.154 0.982 . . . . 0.0 110.509 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.462 ' CE1' HG23 ' A' ' 9' ' ' THR . 59.0 t60 -65.95 -47.88 73.19 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.329 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.8 m -64.99 -32.34 74.01 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -78.66 -56.62 4.28 Favored 'General case' 0 N--CA 1.42 -1.97 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -71.92 -42.3 66.87 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -174.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -96.77 -48.04 5.63 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.012 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -93.61 -4.65 50.41 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.424 -0.911 . . . . 0.0 112.753 -173.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.7 m80 55.11 34.43 22.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.805 1.242 . . . . 0.0 113.85 172.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.436 HD12 ' CB ' ' A' ' 43' ' ' CYS . 78.9 mt -101.42 -174.3 2.57 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.4 ' HD2' HD22 ' A' ' 46' ' ' ASN . 40.9 ttt180 -69.35 -56.51 7.28 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.052 0.454 . . . . 0.0 112.186 -170.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 m -151.63 178.8 8.97 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.22 152.19 23.49 Favored Glycine 0 N--CA 1.417 -2.575 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.556 ' HA ' HG23 ' A' ' 17' ' ' THR . 64.1 mtm180 -136.93 145.34 44.14 Favored 'General case' 0 CA--C 1.447 -2.984 0 CA-C-O 122.146 0.974 . . . . 0.0 111.737 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 t -104.34 92.5 4.36 Favored 'General case' 0 C--N 1.255 -3.503 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 59.8 mtp180 -82.15 178.02 8.49 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 114.524 -1.216 . . . . 0.0 112.637 -171.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -70.89 11.31 0.4 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.184 0.993 . . . . 0.0 113.264 -173.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.43 -7.17 48.34 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 66.44 30.12 8.88 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 122.451 1.12 . . . . 0.0 108.743 -173.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -130.71 151.61 50.97 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.26 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.0 t -85.67 127.36 34.47 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.418 -1.264 . . . . 0.0 108.839 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.546 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 61.6 m95 -115.65 136.3 53.2 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.436 ' CB ' HD12 ' A' ' 30' ' ' LEU . 63.1 m -108.87 140.15 42.72 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.1 t -121.44 152.36 39.17 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.479 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -143.51 142.43 31.14 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.4 HD22 ' HD2' ' A' ' 31' ' ' ARG . 3.1 m-80 -64.54 142.04 58.56 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -178.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.427 -1.588 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 178.411 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.9 m . . . . . 0 N--CA 1.444 -0.76 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.405 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.4 tt0 -130.03 136.04 48.95 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.612 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -141.32 155.44 45.96 Favored 'General case' 0 CA--C 1.482 -1.67 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.789 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.24 140.48 44.57 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 124.067 0.947 . . . . 0.0 111.405 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -78.85 93.26 4.98 Favored 'General case' 0 N--CA 1.413 -2.286 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.27 -13.61 61.95 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.576 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -97.06 4.66 51.27 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-O 122.596 1.188 . . . . 0.0 109.127 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -111.49 112.96 25.06 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -122.56 131.17 53.71 Favored 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.03 160.87 10.08 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.42 119.54 6.56 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.365 2.043 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.79 122.54 24.21 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -97.27 -41.7 8.15 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.854 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.6 p -135.52 154.27 51.45 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 120.793 0.33 . . . . 0.0 111.489 -176.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.48 HG23 ' HA ' ' A' ' 34' ' ' ARG . 19.4 m -61.77 -31.34 71.53 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.202 173.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.08 -31.61 81.39 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.745 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 t -76.0 -26.49 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.014 0.912 . . . . 0.0 108.818 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -84.87 -50.76 7.26 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.79 -177.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.74 -45.69 81.81 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 123.725 0.81 . . . . 0.0 111.577 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.21 -48.13 81.31 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.06 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -59.19 -49.15 78.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.594 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.5 m -63.69 -31.07 72.12 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -84.13 -53.08 5.77 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -64.72 -50.52 66.61 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.969 0.908 . . . . 0.0 111.662 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -96.38 -51.33 4.41 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -174.307 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -88.28 -12.71 42.79 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 119.225 -0.99 . . . . 0.0 112.817 -171.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.1 m80 59.44 36.88 23.24 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.566 1.146 . . . . 0.0 112.72 175.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -102.15 -170.64 1.84 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.48 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -63.46 -62.37 1.72 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.577 0.703 . . . . 0.0 111.79 -172.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 m -157.91 -176.41 5.91 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 -177.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.11 139.05 7.87 Favored Glycine 0 N--CA 1.421 -2.331 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.48 ' HA ' HG23 ' A' ' 17' ' ' THR . 70.9 mtm180 -127.53 145.99 50.67 Favored 'General case' 0 CA--C 1.465 -2.3 0 CA-C-O 122.165 0.983 . . . . 0.0 112.057 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.6 t -92.73 121.38 34.07 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 113.622 -1.627 . . . . 0.0 107.413 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 34.6 mtp180 -116.83 174.45 6.08 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.729 -0.789 . . . . 0.0 112.858 -175.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -66.79 1.23 1.93 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.853 1.261 . . . . 0.0 114.403 -173.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.04 -5.34 59.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 69.49 20.71 7.08 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 124.44 1.096 . . . . 0.0 108.705 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -121.5 160.56 23.98 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.479 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -84.05 139.3 32.59 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.894 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 47.1 m95 -125.08 120.75 32.33 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 123.849 0.859 . . . . 0.0 108.98 177.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 81.6 m -91.9 132.31 36.58 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 m -94.95 138.15 33.08 Favored 'General case' 0 N--CA 1.402 -2.856 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -133.31 140.19 47.29 Favored 'General case' 0 C--N 1.282 -2.337 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.91 126.61 30.18 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.272 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.285 -2.232 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.4 m . . . . . 0 N--CA 1.411 -2.395 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.3 tt0 -126.21 131.8 51.89 Favored 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -137.91 161.72 35.91 Favored 'General case' 0 CA--C 1.471 -2.059 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.54 144.32 53.15 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.553 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 120.91 14.47 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -74.91 -31.11 61.47 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.253 -172.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 p -100.66 11.71 38.95 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.518 0.675 . . . . 0.0 112.177 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -110.19 108.55 18.72 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -121.17 98.79 6.15 Favored 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.739 -173.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.5 -179.0 24.74 Favored Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.24 139.13 20.87 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.414 2.076 . . . . 0.0 111.675 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 t -110.72 139.39 46.05 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.084 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -136.13 9.67 3.26 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.323 0.389 . . . . 0.0 110.761 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.7 m -146.22 118.39 8.33 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.081 0.467 . . . . 0.0 111.217 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.587 ' OG1' ' HA ' ' A' ' 34' ' ' ARG . 5.5 t -74.51 -26.11 59.78 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -175.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.5 -34.68 85.07 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.8 t -77.25 -28.73 53.67 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.79 -47.25 60.51 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.7 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.48 -49.41 77.43 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -47.11 -50.45 20.11 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 124.24 0.963 . . . . 0.0 110.36 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -62.43 -51.76 66.25 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.733 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.6 m -66.6 -28.16 68.28 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -77.15 -66.52 0.82 Allowed 'General case' 0 N--CA 1.427 -1.609 0 CA-C-O 121.169 0.509 . . . . 0.0 110.534 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -67.15 -45.74 76.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.204 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -91.21 -42.15 10.59 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -105.1 -3.61 22.89 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -172.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 56.73 35.12 25.73 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.797 1.239 . . . . 0.0 112.956 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -102.72 -176.9 3.23 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.552 -0.718 . . . . 0.0 111.908 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 44' ' ' THR . 17.1 ttp180 -60.73 -57.15 13.89 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 123.928 0.767 . . . . 0.0 111.757 -171.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 m -158.92 178.05 10.5 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.75 140.79 11.04 Favored Glycine 0 C--N 1.282 -2.451 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.587 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 74.8 mtm180 -132.93 141.86 48.58 Favored 'General case' 0 CA--C 1.461 -2.46 0 CA-C-O 122.378 1.085 . . . . 0.0 111.748 178.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 27.0 t -100.22 105.07 16.61 Favored 'General case' 0 C--N 1.254 -3.548 0 CA-C-N 113.465 -1.698 . . . . 0.0 107.237 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.678 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 57.0 mtp180 -84.46 163.53 19.39 Favored 'General case' 0 C--N 1.286 -2.189 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.523 -176.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -75.87 12.44 1.09 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.798 1.285 . . . . 0.0 110.369 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' A' ' 36' ' ' ARG . 35.0 t70 -78.31 -9.85 59.42 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 113.068 -1.878 . . . . 0.0 107.535 170.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 72.84 20.34 3.63 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 125.823 1.649 . . . . 0.0 111.859 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -131.57 159.89 36.89 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.58 121.74 31.29 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.089 -0.96 . . . . 0.0 108.667 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.678 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 63.1 m95 -114.21 119.01 35.59 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.243 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.19 134.26 34.1 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 7.1 t -110.84 152.22 26.93 Favored 'General case' 0 N--CA 1.412 -2.35 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -175.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -152.25 152.69 32.51 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -81.94 139.34 34.66 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.294 -1.828 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.162 179.756 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.6 m . . . . . 0 N--CA 1.415 -2.207 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -133.15 144.81 50.13 Favored 'General case' 0 C--N 1.292 -1.908 0 C-N-CA 119.541 -0.863 . . . . 0.0 109.043 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -159.28 168.44 26.45 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.61 146.46 53.84 Favored 'General case' 0 N--CA 1.403 -2.785 0 C-N-CA 123.744 0.818 . . . . 0.0 111.772 -176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 136.75 58.02 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.793 175.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -76.38 -41.17 48.94 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.31 0.576 . . . . 0.0 111.304 -173.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 p -105.72 12.6 30.8 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -99.33 104.74 16.66 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -98.42 131.68 44.49 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.158 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.43 -177.08 31.9 Favored Glycine 0 C--O 1.25 1.133 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.63 174.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -72.41 146.06 44.1 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.99 2.46 . . . . 0.0 111.906 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.1 t -104.25 142.23 34.89 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.523 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -126.91 -3.4 6.47 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.158 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.2 m -152.73 125.9 8.59 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 121.891 -0.506 . . . . 0.0 112.061 -173.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 34' ' ' ARG . 21.3 m -63.8 -33.22 75.18 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.54 0.736 . . . . 0.0 110.862 176.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.57 -21.74 65.15 Favored Glycine 0 C--O 1.225 -0.461 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.094 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 t -86.02 -42.54 13.89 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.22 -50.09 62.04 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.966 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 14.4 t70 -58.38 -47.12 84.87 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.914 0.388 . . . . 0.0 110.603 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.17 -46.94 72.46 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.34 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -67.42 -51.49 51.06 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.652 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.1 m -64.63 -32.74 74.54 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 5.7 mmtp -81.21 -57.68 3.4 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -81.85 -34.69 29.98 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 1.3 tmtp? -91.35 -52.33 4.85 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.633 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -90.75 -8.99 48.27 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -173.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.488 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 83.5 m-70 60.36 32.36 20.64 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.59 1.156 . . . . 0.0 114.026 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -95.91 -168.03 1.69 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 56.2 ttt180 -65.7 -61.25 2.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.027 0.441 . . . . 0.0 111.877 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.3 m -160.03 -176.32 5.6 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.5 141.21 9.09 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.503 ' HA ' HG23 ' A' ' 17' ' ' THR . 79.8 mtm180 -131.72 146.85 52.39 Favored 'General case' 0 CA--C 1.463 -2.394 0 CA-C-O 122.289 1.042 . . . . 0.0 112.611 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -99.31 107.66 19.99 Favored 'General case' 0 C--N 1.271 -2.82 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -101.87 -177.49 3.43 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.02 -21.04 64.56 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.197 1.399 . . . . 0.0 112.067 -177.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.03 -7.83 53.01 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.097 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 65.43 26.71 11.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.053 1.341 . . . . 0.0 111.717 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -126.03 159.19 33.4 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.763 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.02 119.11 25.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.086 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -110.19 120.16 41.57 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.5 m -92.39 133.02 36.28 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.9 m -89.65 136.59 32.95 Favored 'General case' 0 N--CA 1.409 -2.48 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -134.21 136.25 43.56 Favored 'General case' 0 C--N 1.287 -2.11 0 CA-C-O 121.34 0.591 . . . . 0.0 110.108 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.508 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 92.1 m-20 -74.39 135.22 42.41 Favored 'General case' 0 N--CA 1.405 -2.698 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.118 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.284 -2.259 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.52 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.571 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 18.3 ptpt . . . . . 0 CA--C 1.491 -1.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.4 p -113.0 135.39 53.83 Favored 'General case' 0 N--CA 1.414 -2.228 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.128 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.0 m -117.47 145.11 44.39 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 23.6 tt0 -138.42 133.05 32.32 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.52 -172.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -145.05 165.56 27.88 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.97 145.69 55.59 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 123.688 0.795 . . . . 0.0 112.389 -175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.18 126.65 30.21 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -75.06 -45.38 41.91 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.024 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -95.91 17.11 15.98 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -103.88 98.86 8.64 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -102.22 108.59 20.01 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.816 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.47 172.51 12.56 Favored Glycine 0 N--CA 1.432 -1.579 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -75.2 154.15 41.36 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.187 1.925 . . . . 0.0 111.327 176.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.6 t -107.65 141.62 38.86 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.48 -19.84 5.75 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.995 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -144.29 138.54 28.0 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.82 -0.55 . . . . 0.0 110.664 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 34' ' ' ARG . 22.8 m -61.07 -37.48 82.82 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.3 -30.04 60.88 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 121.475 -0.393 . . . . 0.0 113.029 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -75.8 -43.73 44.79 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -68.4 -46.4 70.1 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.814 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 20.9 t70 -63.08 -39.87 96.0 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.83 -176.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 26' ' ' ASN . 21.8 t70 -63.34 -42.64 98.96 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -58.97 -49.61 77.23 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.981 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.9 m -69.32 -36.86 77.4 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 49.0 mttp -77.78 -58.56 3.2 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.385 0.612 . . . . 0.0 112.003 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.522 ' HB3' ' O ' ' A' ' 22' ' ' ASP . 12.8 t30 -72.48 -44.54 62.13 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 124.375 1.07 . . . . 0.0 112.748 -173.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -93.39 -48.04 6.6 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.517 -0.873 . . . . 0.0 112.276 -177.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -93.65 -7.08 44.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 85.6 m-70 53.66 45.74 27.39 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -110.11 -171.89 1.93 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.423 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -65.29 -66.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.926 0.87 . . . . 0.0 111.55 -172.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -144.41 177.02 8.94 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.15 135.8 6.22 Favored Glycine 0 N--CA 1.411 -2.981 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HA ' HG23 ' A' ' 17' ' ' THR . 79.7 mtm180 -128.02 144.48 51.11 Favored 'General case' 0 CA--C 1.457 -2.603 0 CA-C-O 122.442 1.115 . . . . 0.0 112.82 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 6.8 t -97.3 104.33 16.34 Favored 'General case' 0 C--N 1.271 -2.809 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -94.68 178.6 5.53 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 119.467 -0.893 . . . . 0.0 112.954 -171.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.23 -26.4 66.38 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.575 1.15 . . . . 0.0 112.064 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.59 4.37 18.76 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.073 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 69.41 10.01 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 173.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -111.76 165.35 12.13 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.865 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.6 124.05 33.67 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.425 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.438 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 45.6 m95 -116.54 127.64 54.71 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.4 m -95.23 132.6 40.02 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.3 m -94.3 139.49 31.0 Favored 'General case' 0 N--CA 1.407 -2.591 0 N-CA-C 105.701 -1.963 . . . . 0.0 105.701 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -138.46 144.68 40.2 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 117.977 0.353 . . . . 0.0 110.097 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -72.72 133.91 44.78 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.6 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.571 ' SG ' ' HG3' ' A' ' 1' ' ' LYS . 5.7 p . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt . . . . . 0 CA--C 1.503 -0.849 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.5 p -122.01 130.83 53.62 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-O 121.434 0.635 . . . . 0.0 111.482 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 89.3 m -124.15 134.58 53.3 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 31.2 tt0 -127.32 141.12 51.78 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.444 -171.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -145.32 159.4 43.09 Favored 'General case' 0 CA--C 1.481 -1.702 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.51 140.49 58.88 Favored 'General case' 0 N--CA 1.414 -2.269 0 C-N-CA 123.572 0.749 . . . . 0.0 110.143 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 10' ' ' TYR . . . -61.04 136.31 58.04 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -82.19 -38.34 24.75 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.795 -173.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.0 p -107.81 8.44 28.75 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -175.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.454 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 2.1 t80 -106.06 126.2 51.91 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 176.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -141.04 129.55 22.6 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.94 175.74 14.35 Favored Glycine 0 N--CA 1.427 -1.945 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.11 108.75 1.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.06 2.507 . . . . 0.0 111.778 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 t -84.85 135.61 34.01 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.079 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -121.5 -33.99 3.53 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.965 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.9 m -115.92 124.98 51.94 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 121.527 0.68 . . . . 0.0 112.385 -173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.602 HG23 ' HA ' ' A' ' 34' ' ' ARG . 18.0 m -59.62 -38.48 81.43 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.416 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.66 -36.53 79.03 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.739 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -70.65 -44.1 67.79 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.35 0.595 . . . . 0.0 109.413 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.1 t -61.75 -47.64 84.29 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.331 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 12.9 t70 -55.99 -52.85 62.72 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.615 1.166 . . . . 0.0 112.175 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.79 -43.05 94.61 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.617 0.573 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -59.73 -50.73 72.71 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.23 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.5 m -64.24 -37.03 86.02 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.666 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.85 -49.32 30.9 Favored 'General case' 0 N--CA 1.425 -1.709 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -81.14 -50.72 9.27 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -173.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -92.16 -35.86 13.62 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.586 -0.846 . . . . 0.0 111.531 -173.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -96.21 -7.75 34.84 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 119.617 -0.833 . . . . 0.0 112.683 -177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 47.45 53.5 10.93 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.861 1.264 . . . . 0.0 111.754 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.8 mt -116.11 -170.07 1.73 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.503 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -65.05 -68.31 0.37 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.355 0.598 . . . . 0.0 111.115 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 m -155.91 -178.45 7.31 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' N ' ' HA ' ' A' ' 21' ' ' ASP . . . -141.1 145.06 15.43 Favored Glycine 0 N--CA 1.418 -2.535 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.602 ' HA ' HG23 ' A' ' 17' ' ' THR . 63.3 mtm180 -133.12 143.92 49.59 Favored 'General case' 0 CA--C 1.456 -2.649 0 CA-C-O 122.164 0.983 . . . . 0.0 112.244 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.0 t -99.95 110.81 23.14 Favored 'General case' 0 C--N 1.267 -2.985 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.155 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.573 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.6 mtp180 -99.26 178.87 4.77 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.882 -175.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.99 5.73 4.0 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -173.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -80.35 -13.86 58.82 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 69.38 27.82 4.91 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -170.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -124.71 149.74 46.91 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.007 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.8 t -83.86 126.21 32.74 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.546 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 65.4 m95 -113.65 122.62 47.73 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.6 m -95.97 129.9 43.1 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 t -101.25 152.02 21.18 Favored 'General case' 0 N--CA 1.406 -2.67 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 3' ' ' CYS . 13.8 ptp180 -136.52 150.71 48.8 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -80.48 120.88 25.05 Favored 'General case' 0 N--CA 1.396 -3.172 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 175.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.265 -3.066 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.349 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm . . . . . 0 CA--C 1.496 -1.098 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 p -123.57 128.54 49.86 Favored 'General case' 0 N--CA 1.415 -2.2 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.6 m -112.78 129.66 56.35 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.9 tt0 -121.25 134.64 55.18 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -174.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -143.49 159.11 43.02 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.34 139.38 58.19 Favored 'General case' 0 N--CA 1.419 -1.991 0 C-N-CA 123.995 0.918 . . . . 0.0 111.348 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.15 123.6 18.59 Favored 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 123.497 0.498 . . . . 0.0 110.183 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -64.86 -41.23 95.85 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.456 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 p -108.37 13.09 25.84 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -100.38 98.64 9.26 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -104.9 123.49 47.82 Favored 'General case' 0 C--N 1.273 -2.737 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.74 179.3 15.97 Favored Glycine 0 C--O 1.259 1.686 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -82.17 145.98 13.99 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 123.128 2.552 . . . . 0.0 111.918 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.4 t -108.56 138.22 45.23 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.001 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -126.55 -4.98 6.51 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.429 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.2 m -148.0 123.5 10.39 Favored 'General case' 0 CA--C 1.558 1.258 0 O-C-N 121.452 -0.78 . . . . 0.0 112.416 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.526 HG23 ' HA ' ' A' ' 34' ' ' ARG . 45.5 m -58.25 -36.59 73.45 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.268 0.627 . . . . 0.0 111.678 177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.76 -23.93 63.82 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.749 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.9 m -87.1 -36.6 18.02 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -69.7 -45.06 69.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.38 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.416 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 22.7 t70 -59.79 -41.19 90.6 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.039 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.31 -49.92 70.92 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.537 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -61.34 -50.72 71.8 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.298 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.6 m -66.08 -36.45 83.22 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.003 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 46.8 mttp -77.39 -57.72 3.67 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 177.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -73.35 -41.35 63.56 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -171.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 -44.63 6.93 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 118.909 -1.116 . . . . 0.0 111.176 -175.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -93.63 -7.44 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 49.89 51.84 15.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.949 1.299 . . . . 0.0 112.412 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 43' ' ' CYS . 73.2 mt -111.69 -173.87 2.34 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.654 174.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -65.7 -64.04 0.95 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.549 0.69 . . . . 0.0 111.233 -173.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 m -148.46 178.49 8.56 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -174.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.41 136.68 6.39 Favored Glycine 0 N--CA 1.421 -2.363 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.526 ' HA ' HG23 ' A' ' 17' ' ' THR . 65.1 mtm180 -124.05 146.21 48.72 Favored 'General case' 0 CA--C 1.458 -2.573 0 CA-C-O 122.333 1.063 . . . . 0.0 112.73 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.8 t -103.73 106.12 16.54 Favored 'General case' 0 C--N 1.27 -2.851 0 CA-C-N 113.094 -1.866 . . . . 0.0 106.301 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.3 mtp180 -97.09 176.94 5.76 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.082 -171.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.37 -12.62 57.86 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.79 0.836 . . . . 0.0 113.166 -173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' ' 40' ' ' ARG . 4.2 p-10 -87.92 4.38 45.0 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.051 177.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 64.16 26.22 13.82 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 112.0 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.491 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 24.3 mmm180 -120.15 154.76 34.29 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.044 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -89.34 125.44 35.13 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.634 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.534 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 66.2 m95 -115.7 122.09 44.47 Favored 'General case' 0 C--N 1.286 -2.165 0 C-N-CA 123.992 0.917 . . . . 0.0 109.073 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.409 ' HB3' HD12 ' A' ' 30' ' ' LEU . 69.4 m -96.65 134.57 39.74 Favored 'General case' 0 C--N 1.285 -2.231 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.5 t -113.95 146.48 40.04 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -143.73 151.43 40.01 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -69.36 127.71 33.99 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--N 1.29 -2.018 0 CA-C-O 119.036 -0.507 . . . . 0.0 110.182 -178.237 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.501 -0.925 0 N-CA-C 111.272 0.101 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.257 36.0 p 61.73 117.51 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.298 1.439 . . . . 0.0 113.064 -175.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.2 m -108.43 156.77 19.08 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.435 -173.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 32.2 tt0 -146.87 132.3 18.62 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -145.56 157.12 44.03 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.7 mt -54.23 140.41 32.84 Favored 'General case' 0 N--CA 1.42 -1.959 0 C-N-CA 124.74 1.216 . . . . 0.0 111.813 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.59 129.56 41.67 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.307 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -62.71 -44.92 94.99 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 123.331 0.652 . . . . 0.0 111.558 -174.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 p -106.8 18.85 21.3 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -174.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.538 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 42.6 t80 -100.43 89.6 4.01 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 119.694 -0.802 . . . . 0.0 108.848 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -96.74 94.66 7.42 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.104 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.2 175.16 22.05 Favored Glycine 0 N--CA 1.43 -1.733 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -69.69 147.35 63.1 Favored 'Trans proline' 0 C--O 1.252 1.188 0 C-N-CA 122.895 2.397 . . . . 0.0 111.743 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.538 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 47.0 t -88.38 141.13 28.79 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.937 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -92.17 -70.17 0.71 Allowed 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.174 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 p -142.58 170.03 16.46 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.698 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 33' ' ' GLY . 23.7 m -61.69 -32.22 72.41 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.188 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.05 -36.26 92.04 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.711 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.9 p -83.18 -33.09 26.26 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 117.291 0.546 . . . . 0.0 110.308 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.83 -47.51 65.84 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.044 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.416 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 18.6 t70 -62.97 -39.81 95.82 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.007 0.523 . . . . 0.0 110.131 -178.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -51.82 -47.62 64.24 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.256 175.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -68.54 -49.52 58.92 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.768 -1.106 . . . . 0.0 111.32 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.9 m -65.84 -31.64 72.71 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 46.8 mttp -81.22 -62.88 1.53 Allowed 'General case' 0 N--CA 1.423 -1.807 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -67.93 -44.89 75.82 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -172.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -88.72 -47.06 8.51 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.392 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -96.9 -9.0 29.4 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -171.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.4 m80 56.25 38.47 29.83 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.873 0.869 . . . . 0.0 112.589 175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -102.81 -165.46 1.18 Allowed 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.976 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' THR . 6.3 tpm_? -69.79 -69.67 0.33 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.772 0.796 . . . . 0.0 111.232 -175.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -149.89 -178.84 6.7 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' THR . . . -146.44 128.65 3.09 Favored Glycine 0 N--CA 1.414 -2.819 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 176.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -121.41 144.78 48.49 Favored 'General case' 0 CA--C 1.46 -2.512 0 CA-C-O 122.638 1.209 . . . . 0.0 112.828 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.2 t -97.93 110.25 22.86 Favored 'General case' 0 N--CA 1.399 -2.99 0 CA-C-N 112.991 -1.913 . . . . 0.0 107.674 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.525 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 30.7 mtp180 -96.12 169.45 9.95 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.78 -176.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -78.04 7.02 6.7 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 122.738 1.256 . . . . 0.0 110.117 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -78.85 -17.82 55.02 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 112.74 -2.027 . . . . 0.0 108.209 172.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 69.78 17.23 7.72 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 125.547 1.539 . . . . 0.0 113.662 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -121.17 157.19 30.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 174.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 41.4 t -83.83 128.16 34.34 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 123.442 0.464 . . . . 0.0 110.082 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 47.1 m95 -116.61 116.74 28.14 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.708 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 67.5 m -87.68 130.71 34.71 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 24.0 m -84.96 145.74 27.59 Favored 'General case' 0 N--CA 1.406 -2.631 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -143.77 139.61 29.49 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 121.348 0.594 . . . . 0.0 110.429 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.22 133.83 47.44 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.509 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 C--N 1.297 -1.692 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 179.126 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.9 mttp . . . . . 0 CA--C 1.499 -1.002 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p -114.77 135.84 53.73 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-O 121.18 0.514 . . . . 0.0 111.537 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.1 m -131.87 147.95 52.51 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.471 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 33.8 tt0 -126.37 126.85 44.57 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 -178.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.67 156.95 45.11 Favored 'General case' 0 CA--C 1.484 -1.585 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -176.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.81 143.2 43.08 Favored 'General case' 0 N--CA 1.421 -1.911 0 C-N-CA 124.437 1.095 . . . . 0.0 112.664 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.28 133.83 48.39 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -84.9 -36.13 21.69 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -172.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.412 HG21 ' HE3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -101.75 15.27 29.46 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.694 0.759 . . . . 0.0 110.535 -176.281 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.476 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 25.1 t80 -93.93 108.59 20.37 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -98.17 123.59 42.3 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.292 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.8 -176.09 21.94 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.825 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.23 155.24 32.89 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 C-N-CA 122.68 2.253 . . . . 0.0 111.057 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 42.4 t -88.06 152.56 21.93 Favored 'General case' 0 N--CA 1.408 -2.527 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.837 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -113.97 -54.88 2.56 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.74 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -139.51 150.37 45.04 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.208 -176.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 34' ' ' ARG . 42.8 m -55.54 -47.59 76.09 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.852 0.861 . . . . 0.0 112.579 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.47 -29.77 70.12 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.353 -0.451 . . . . 0.0 113.644 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 t -78.05 -39.15 42.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.07 -43.65 86.76 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.12 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.54 -46.32 89.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 123.792 0.837 . . . . 0.0 109.977 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -56.22 -51.93 66.3 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.161 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -57.06 -48.88 77.48 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.548 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -65.26 -41.67 94.04 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -76.0 -49.15 18.46 Favored 'General case' 0 N--CA 1.426 -1.638 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -75.03 -54.87 6.41 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-O 121.058 0.456 . . . . 0.0 111.967 -175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HE3' HG21 ' A' ' 9' ' ' THR . 21.2 tptp -86.4 -52.09 5.82 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -78.37 -18.43 55.11 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.609 0.718 . . . . 0.0 111.806 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.8 m80 67.18 31.21 6.83 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 114.172 -1.376 . . . . 0.0 111.492 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -98.96 -167.03 1.43 Allowed 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.879 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.542 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 13.2 ttp180 -82.56 -57.81 3.18 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.925 0.393 . . . . 0.0 111.663 -169.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.5 m -151.91 -179.25 7.31 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -151.64 144.07 11.22 Favored Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.503 ' HA ' HG23 ' A' ' 17' ' ' THR . 54.5 mtm180 -132.4 154.19 50.06 Favored 'General case' 0 CA--C 1.464 -2.35 0 CA-C-O 122.626 1.203 . . . . 0.0 112.639 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 t -111.27 99.08 7.97 Favored 'General case' 0 C--N 1.268 -2.935 0 CA-C-N 113.127 -1.851 . . . . 0.0 107.28 -177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -89.02 -178.98 5.83 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.566 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -61.03 -23.85 65.73 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -80.12 0.37 32.42 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.983 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 63.54 26.68 14.82 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.129 0.972 . . . . 0.0 113.278 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -116.74 154.29 30.9 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -79.89 117.13 20.47 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.865 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.471 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 49.5 m95 -109.68 116.9 32.56 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.003 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.432 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 78.0 m -85.58 130.88 34.47 Favored 'General case' 0 C--N 1.277 -2.553 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -93.84 137.22 33.31 Favored 'General case' 0 N--CA 1.403 -2.794 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.542 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 8.3 ptm180 -143.92 159.65 42.19 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 119.262 -0.975 . . . . 0.0 113.207 -175.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -73.37 123.29 23.52 Favored 'General case' 0 N--CA 1.388 -3.53 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.254 -3.581 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -170.879 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 47' ' ' CYS . 6.7 mtpm? . . . . . 0 CA--C 1.507 -0.703 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.282 41.3 p 62.11 117.03 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 125.465 1.506 . . . . 0.0 114.121 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HB2' ' HG3' ' A' ' 45' ' ' ARG . 95.9 m -111.11 152.71 26.65 Favored 'General case' 0 C--N 1.272 -2.797 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 26.8 tt0 -143.03 135.17 27.14 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.02 -176.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -140.32 168.65 19.32 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -71.41 146.35 48.76 Favored 'General case' 0 C--N 1.291 -1.96 0 C-N-CA 123.739 0.816 . . . . 0.0 111.713 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.6 139.68 45.7 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -92.74 -32.55 14.66 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.604 -173.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -102.38 3.41 37.85 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.642 0.734 . . . . 0.0 112.412 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -99.54 84.56 2.98 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -96.33 121.13 37.79 Favored 'General case' 0 C--N 1.275 -2.663 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.126 -175.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.88 -170.72 19.3 Favored Glycine 0 C--N 1.301 -1.399 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -173.11 1.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.529 2.153 . . . . 0.0 111.052 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.8 m -69.43 119.58 13.91 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.728 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.96 -56.51 3.52 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 169.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.66 141.97 14.9 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.182 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.51 HG23 ' HA ' ' A' ' 34' ' ' ARG . 63.3 m -57.28 -47.55 81.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.873 0.869 . . . . 0.0 110.646 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.99 -35.69 92.44 Favored Glycine 0 C--O 1.224 -0.477 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.718 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -78.23 -26.12 47.21 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.223 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.5 t -65.91 -43.82 87.05 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.438 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 28.8 t70 -61.2 -54.56 42.7 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.293 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.7 -40.91 80.56 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.106 0.479 . . . . 0.0 110.709 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -59.23 -53.45 58.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.83 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.69 -36.39 82.75 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.587 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -71.04 -55.88 7.32 Favored 'General case' 0 N--CA 1.421 -1.881 0 C-N-CA 122.87 0.468 . . . . 0.0 112.079 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -73.36 -59.58 2.65 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -81.16 -37.27 29.05 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-O 120.892 0.377 . . . . 0.0 111.822 -170.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -104.89 1.06 28.56 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 119.15 -1.02 . . . . 0.0 113.065 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 56.97 29.16 15.88 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.55 1.14 . . . . 0.0 112.626 171.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.0 mt -101.92 -170.33 1.8 Allowed 'General case' 0 C--N 1.31 -1.151 0 O-C-N 121.967 -0.458 . . . . 0.0 111.872 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -71.31 -63.75 1.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.351 0.66 . . . . 0.0 112.397 -173.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 m -149.45 -179.12 6.83 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' N ' ' HA ' ' A' ' 21' ' ' ASP . . . -151.74 146.1 14.52 Favored Glycine 0 N--CA 1.422 -2.248 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 176.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.51 ' HA ' HG23 ' A' ' 17' ' ' THR . 41.8 mtm180 -147.97 156.92 43.2 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.863 0.84 . . . . 0.0 112.219 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.9 t -90.61 130.54 36.62 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 113.907 -1.497 . . . . 0.0 107.035 174.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.641 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 56.0 mtp180 -115.32 172.62 6.97 Favored 'General case' 0 C--N 1.284 -2.248 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.377 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.24 -14.83 28.82 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -174.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' OD2' ' HB2' ' A' ' 40' ' ' ARG . 4.4 p-10 -89.37 7.85 33.68 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 123.096 0.558 . . . . 0.0 111.68 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 66.55 20.16 10.83 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.06 1.344 . . . . 0.0 112.754 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 21.8 mmm180 -115.75 155.3 28.05 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.234 0.54 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -86.9 121.55 29.53 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.632 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.641 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 55.5 m95 -110.83 128.27 55.71 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.2 m -98.27 130.46 44.97 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -88.46 149.59 23.59 Favored 'General case' 0 N--CA 1.407 -2.602 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HG3' ' HB2' ' A' ' 3' ' ' CYS . 2.0 ptp180 -140.1 142.59 36.07 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -71.9 138.54 48.23 Favored 'General case' 0 N--CA 1.414 -2.242 0 CA-C-O 121.512 0.672 . . . . 0.0 112.082 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' LYS . 28.6 p . . . . . 0 C--N 1.286 -2.153 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 CA--C 1.504 -0.826 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.296 38.7 p 63.34 116.49 0.02 OUTLIER 'General case' 0 C--O 1.245 0.86 0 C-N-CA 125.612 1.565 . . . . 0.0 115.156 176.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m -100.03 140.3 34.46 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-N 113.577 -1.647 . . . . 0.0 108.145 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -145.42 131.8 19.63 Favored 'General case' 0 N--CA 1.416 -2.133 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -147.82 164.64 33.02 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.498 ' H ' HD12 ' A' ' 6' ' ' LEU . 4.9 mp -74.54 145.22 43.63 Favored 'General case' 0 N--CA 1.383 -3.82 0 C-N-CA 122.633 0.373 . . . . 0.0 110.194 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.53 118.91 10.81 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.418 ' ND2' HG23 ' A' ' 9' ' ' THR . 3.3 p-10 -75.8 -23.48 55.86 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.347 -172.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' ND2' ' A' ' 8' ' ' ASN . 2.7 p -106.31 5.8 29.99 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 54.4 t80 -94.18 103.94 15.97 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 174.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -105.01 111.83 24.75 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.748 -171.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.45 -166.11 15.99 Favored Glycine 0 N--CA 1.432 -1.628 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.919 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -81.13 147.42 16.42 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 123.317 2.678 . . . . 0.0 112.24 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 51.7 t -83.13 128.55 34.59 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.114 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -106.47 -31.58 8.48 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.2 m -152.52 136.63 16.49 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 121.738 -0.601 . . . . 0.0 111.444 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.498 HG23 ' HA ' ' A' ' 34' ' ' ARG . 26.3 m -58.25 -44.81 88.5 Favored 'General case' 0 C--O 1.208 -1.097 0 C-N-CA 124.096 0.958 . . . . 0.0 111.001 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.83 -30.3 69.22 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.877 -0.201 . . . . 0.0 112.847 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -78.56 -42.91 27.93 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -59.6 -50.53 73.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.344 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 17.8 t70 -54.65 -49.35 70.77 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 124.415 1.086 . . . . 0.0 110.446 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.2 -46.27 83.02 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 123.676 0.61 . . . . 0.0 111.003 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -60.65 -47.35 86.63 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.701 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -65.46 -34.99 79.57 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.294 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 70.8 mmtt -66.66 -68.84 0.34 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.754 0.788 . . . . 0.0 110.973 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.27 -47.17 45.18 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.738 -1.119 . . . . 0.0 113.267 -171.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -85.75 -49.2 8.13 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.226 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -94.57 -0.71 54.32 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 119.362 -0.935 . . . . 0.0 113.169 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 56.08 36.37 27.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.176 0.99 . . . . 0.0 113.088 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -107.57 -172.8 2.14 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.779 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 2.1 tmt_? -73.73 -57.93 3.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.678 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 m -153.56 -178.29 6.91 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.9 140.29 7.95 Favored Glycine 0 N--CA 1.426 -1.988 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.498 ' HA ' HG23 ' A' ' 17' ' ' THR . 77.0 mtm180 -130.91 149.18 52.66 Favored 'General case' 0 CA--C 1.457 -2.608 0 CA-C-O 122.538 1.161 . . . . 0.0 113.031 -178.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 t -94.19 96.82 9.85 Favored 'General case' 0 N--CA 1.401 -2.876 0 CA-C-N 112.848 -1.978 . . . . 0.0 107.483 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 57.5 mtp180 -87.18 161.03 18.29 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.731 -176.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -75.32 76.14 2.42 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.187 0.994 . . . . 0.0 108.906 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -163.14 9.17 0.05 Allowed 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 113.361 -1.745 . . . . 0.0 108.28 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 56.21 19.01 3.59 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 124.268 1.027 . . . . 0.0 112.93 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -125.48 145.81 49.92 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 121.698 0.761 . . . . 0.0 112.208 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.5 t -82.8 121.72 27.27 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 113.762 -1.563 . . . . 0.0 108.405 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 54.3 m95 -113.42 115.96 28.89 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.22 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.0 m -82.78 136.49 34.66 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 t -125.02 148.65 48.38 Favored 'General case' 0 N--CA 1.407 -2.62 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 12.9 ptm180 -149.44 160.08 43.75 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -76.97 143.86 39.15 Favored 'General case' 0 N--CA 1.391 -3.378 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.294 -1.807 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 177.036 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt . . . . . 0 CA--C 1.506 -0.734 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 p -126.13 127.97 46.59 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 171.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.4 m -115.11 125.5 53.56 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.714 -174.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.511 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 39.6 tt0 -102.69 113.05 26.12 Favored 'General case' 0 C--N 1.283 -2.307 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -137.39 152.74 49.99 Favored 'General case' 0 CA--C 1.47 -2.109 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.2 mt -52.2 139.93 22.52 Favored 'General case' 0 N--CA 1.424 -1.773 0 O-C-N 124.802 1.314 . . . . 0.0 112.062 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.55 148.28 20.02 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.294 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -85.97 -36.99 19.48 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.892 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 m -116.86 22.93 12.29 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.748 0.785 . . . . 0.0 111.089 -173.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -104.22 127.62 51.86 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -143.22 110.59 5.77 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.45 -177.71 21.47 Favored Glycine 0 C--N 1.292 -1.91 0 N-CA-C 108.926 -1.67 . . . . 0.0 108.926 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -85.93 154.49 9.94 Favored 'Trans proline' 0 N--CA 1.435 -1.918 0 CA-C-N 119.392 1.596 . . . . 0.0 111.474 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 t -112.44 160.51 17.69 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.88 -61.0 0.68 Allowed 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.527 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 24.6 m -97.83 132.88 43.04 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.018 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.543 HG23 ' HA ' ' A' ' 34' ' ' ARG . 86.5 m -56.2 -41.93 76.36 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.663 0.785 . . . . 0.0 112.005 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.02 -21.38 65.69 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.179 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.527 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 12.4 m -73.46 -35.55 65.75 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -178.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -71.12 -39.46 72.02 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.001 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 23.8 t70 -62.23 -42.06 98.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.451 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -54.64 -50.66 67.6 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.821 173.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -60.35 -51.73 68.27 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.953 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.9 m -65.9 -35.5 80.79 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.841 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 8.1 mmtp -82.36 -52.86 6.51 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -78.09 -39.61 40.94 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -175.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -91.35 -50.02 6.04 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.794 -0.762 . . . . 0.0 111.957 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.21 -9.55 41.84 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.422 -174.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 14.4 t-80 58.07 37.59 26.5 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.64 1.176 . . . . 0.0 110.957 175.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.6 mt -98.36 -170.84 2.02 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.245 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -69.98 -57.22 5.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.031 0.443 . . . . 0.0 111.995 -171.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.0 m -160.23 -179.08 7.43 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.94 147.51 18.03 Favored Glycine 0 N--CA 1.427 -1.939 0 O-C-N 123.833 0.708 . . . . 0.0 111.388 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.543 ' HA ' HG23 ' A' ' 17' ' ' THR . 54.6 mtm180 -137.08 160.22 39.6 Favored 'General case' 0 CA--C 1.473 -2.003 0 CA-C-O 121.84 0.829 . . . . 0.0 111.593 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.538 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 14.0 t -108.37 108.59 19.62 Favored 'General case' 0 C--N 1.268 -2.945 0 CA-C-N 114.254 -1.339 . . . . 0.0 108.154 -177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.691 ' HB2' ' CD1' ' A' ' 42' ' ' TRP . 44.5 mtp180 -120.6 178.45 4.68 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 62.77 12.28 5.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.798 0.839 . . . . 0.0 112.138 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.1 t70 77.27 -3.83 2.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.26 1.824 . . . . 0.0 111.601 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -171.76 15.08 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -118.4 142.75 47.23 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 119.5 1.045 . . . . 0.0 111.523 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.2 t -91.83 120.08 32.21 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.18 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.691 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 52.4 m95 -111.84 116.87 31.39 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.796 179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.4 m -96.19 129.56 43.47 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 8.6 m -90.89 136.36 33.12 Favored 'General case' 0 N--CA 1.405 -2.724 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -141.0 142.99 34.19 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -69.38 123.41 21.15 Favored 'General case' 0 N--CA 1.411 -2.376 0 CA-C-O 121.327 0.584 . . . . 0.0 109.595 174.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.279 -2.492 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.075 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.9 pttp . . . . . 0 CA--C 1.489 -1.381 0 CA-C-O 120.888 0.375 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.6 p 47.7 112.36 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 126.17 1.788 . . . . 0.0 114.302 -173.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.0 m -116.58 128.4 55.37 Favored 'General case' 0 C--N 1.259 -3.366 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.409 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 30.9 tt0 -131.74 126.2 33.87 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -174.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -138.86 165.82 26.05 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.85 142.43 58.44 Favored 'General case' 0 N--CA 1.403 -2.805 0 O-C-N 123.826 0.704 . . . . 0.0 111.84 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 10' ' ' TYR . . . -63.72 121.68 14.55 Favored 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 174.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -75.04 -23.56 58.15 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.967 -174.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 p -106.35 15.27 26.3 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.786 -0.766 . . . . 0.0 112.461 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.544 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 45.6 t80 -124.26 120.02 31.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -119.32 173.11 7.15 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.18 -165.71 52.18 Favored Glycine 0 N--CA 1.434 -1.474 0 O-C-N 123.495 0.497 . . . . 0.0 112.409 177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -74.19 145.87 35.47 Favored 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 122.522 2.148 . . . . 0.0 111.538 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.544 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 27.8 t -81.38 133.79 35.47 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.265 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -84.72 -59.79 2.25 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.083 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 p -149.44 163.26 38.26 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 120.708 0.29 . . . . 0.0 111.04 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.494 HG23 ' HA ' ' A' ' 34' ' ' ARG . 30.6 m -63.5 -33.83 76.44 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 172.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.18 -43.33 95.41 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 115.657 -0.702 . . . . 0.0 113.029 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 p -81.15 -32.94 33.45 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 117.27 0.535 . . . . 0.0 110.802 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -63.58 -46.63 84.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.557 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -62.37 -43.98 97.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.63 0.772 . . . . 0.0 110.135 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.41 -52.01 63.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.668 0.787 . . . . 0.0 109.876 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -60.91 -51.16 70.45 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.96 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.1 m -65.05 -34.31 78.11 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.46 -48.96 12.05 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -76.45 -46.92 24.85 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -90.1 -49.01 6.82 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.47 -6.22 50.28 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.012 -1.075 . . . . 0.0 112.504 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.7 m80 56.06 33.5 22.01 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.758 1.223 . . . . 0.0 113.086 174.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.4 mt -100.81 -173.86 2.49 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HA ' ' HE ' ' A' ' 31' ' ' ARG . 1.1 tpm_? -60.57 -60.44 3.81 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.744 0.818 . . . . 0.0 111.664 -172.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 m -159.03 -178.94 7.6 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.63 140.16 9.65 Favored Glycine 0 C--N 1.286 -2.22 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.494 ' HA ' HG23 ' A' ' 17' ' ' THR . 23.9 mtm180 -132.56 148.56 52.37 Favored 'General case' 0 CA--C 1.469 -2.156 0 CA-C-O 122.511 1.148 . . . . 0.0 113.443 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.2 t -99.71 117.48 34.15 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 113.118 -1.856 . . . . 0.0 107.753 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -101.77 -172.07 2.09 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.648 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.73 -15.29 60.3 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.359 0.6 . . . . 0.0 111.587 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.3 -3.97 56.3 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.762 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 51.57 51.97 15.63 Favored 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 125.029 1.332 . . . . 0.0 114.208 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -133.82 160.29 38.08 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 54.0 t -84.78 122.82 29.67 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 123.35 0.407 . . . . 0.0 109.92 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.409 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 52.9 m95 -111.16 124.81 52.95 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.2 m -94.97 129.32 42.07 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.8 m -90.37 133.76 34.77 Favored 'General case' 0 N--CA 1.403 -2.788 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -133.03 142.9 49.04 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.255 173.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.42 128.94 33.98 Favored 'General case' 0 N--CA 1.411 -2.412 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.077 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.279 -2.496 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.508 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 1' ' ' LYS . 7.5 mptt . . . . . 0 CA--C 1.507 -0.705 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 p -120.46 131.46 54.77 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.24 128.4 53.31 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 30.4 tt0 -116.03 135.74 53.67 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -140.11 167.81 21.27 Favored 'General case' 0 CA--C 1.471 -2.067 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.1 142.77 41.6 Favored 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.408 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.55 134.5 55.64 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 124.013 0.82 . . . . 0.0 109.557 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -81.18 -44.44 17.84 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.046 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 m -86.89 -11.98 49.15 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.753 0.787 . . . . 0.0 111.776 -171.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 41.8 t80 -87.47 103.32 15.4 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -178.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.54 122.24 46.25 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -178.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.91 -175.44 15.88 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.671 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.99 152.85 18.99 Favored 'Trans proline' 0 N--CA 1.44 -1.626 0 C-N-CA 122.91 2.407 . . . . 0.0 112.766 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 32.1 t -106.43 141.75 37.22 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 114.32 -1.309 . . . . 0.0 107.609 176.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.56 -22.33 7.57 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.025 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -153.99 138.94 17.22 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 120.856 0.36 . . . . 0.0 111.711 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.506 HG23 ' HA ' ' A' ' 34' ' ' ARG . 19.7 m -51.83 -39.0 58.09 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.989 1.316 . . . . 0.0 113.357 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.41 66.37 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 121.988 -0.149 . . . . 0.0 113.358 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.0 m -76.04 -26.74 56.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.599 0.714 . . . . 0.0 109.294 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.2 t -82.45 -48.88 10.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.429 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.98 -49.82 75.5 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 123.832 0.853 . . . . 0.0 112.518 -176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.44 -42.14 95.49 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -61.56 -50.04 74.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.494 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.1 m -63.31 -34.62 78.1 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.851 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -78.72 -56.11 4.66 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 120.788 0.327 . . . . 0.0 111.807 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -67.4 -54.24 22.16 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 123.707 0.803 . . . . 0.0 112.331 -174.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -93.8 -41.46 9.64 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.541 -0.464 . . . . 0.0 112.048 -171.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.251 11.5 mt-10 -95.59 -7.85 36.63 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 118.745 -1.182 . . . . 0.0 113.185 -175.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.3 m80 61.14 29.93 19.1 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -100.66 -170.37 1.85 Allowed 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.56 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 37.9 ttt180 -63.72 -65.68 0.65 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.364 0.602 . . . . 0.0 112.297 -173.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.7 m -155.91 -179.04 7.75 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 -175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.3 142.22 11.16 Favored Glycine 0 C--N 1.288 -2.111 0 N-CA-C 110.239 -1.145 . . . . 0.0 110.239 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.506 ' HA ' HG23 ' A' ' 17' ' ' THR . 60.0 mtm180 -134.09 148.79 51.07 Favored 'General case' 0 CA--C 1.465 -2.291 0 CA-C-O 122.413 1.101 . . . . 0.0 112.703 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.0 t -101.84 116.48 32.8 Favored 'General case' 0 C--N 1.272 -2.765 0 CA-C-N 113.422 -1.717 . . . . 0.0 106.866 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.662 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 69.7 mtp180 -105.46 -179.78 4.04 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.458 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.9 -15.26 61.78 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.204 0.602 . . . . 0.0 112.163 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.72 -21.71 66.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.833 0.853 . . . . 0.0 109.409 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 65.61 32.25 9.34 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.727 1.251 . . . . 0.0 107.673 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -121.99 150.72 41.67 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.769 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.9 t -83.15 120.45 25.81 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.605 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.662 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 72.1 m95 -109.59 117.61 34.4 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.068 177.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 70.3 m -93.2 131.0 38.69 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -96.92 144.28 26.99 Favored 'General case' 0 N--CA 1.406 -2.655 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -133.38 154.21 50.94 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.553 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 94.8 m-20 -83.76 126.94 33.42 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.283 -2.303 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.803 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.502 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 27.9 mttp . . . . . 0 CA--C 1.496 -1.112 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.4 p -118.96 131.43 56.02 Favored 'General case' 0 N--CA 1.414 -2.262 0 CA-C-O 121.294 0.569 . . . . 0.0 109.828 174.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.3 m -119.8 128.38 53.66 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 31.5 tt0 -121.71 139.41 53.61 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -171.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -146.46 163.98 33.95 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.433 HD13 ' NH1' ' A' ' 40' ' ' ARG . 72.2 mt -69.03 138.63 54.61 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 124.448 1.099 . . . . 0.0 110.947 -177.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.62 106.91 4.22 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -80.93 -6.54 58.82 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -105.26 7.92 33.7 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 122.211 1.005 . . . . 0.0 108.516 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -111.02 120.71 43.29 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -121.84 137.71 54.67 Favored 'General case' 0 N--CA 1.411 -2.376 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.477 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.16 161.17 14.59 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.594 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.31 142.44 79.35 Favored 'Trans proline' 0 C--O 1.246 0.904 0 C-N-CA 122.711 2.274 . . . . 0.0 112.029 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.54 137.53 46.34 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.547 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -129.78 1.7 4.9 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.0 m -146.96 128.65 15.2 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.438 -0.789 . . . . 0.0 111.912 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 34' ' ' ARG . 26.6 m -59.7 -46.57 88.7 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.41 1.084 . . . . 0.0 111.254 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.21 -26.84 71.78 Favored Glycine 0 C--O 1.221 -0.701 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.7 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -73.87 -29.61 62.19 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.781 0.801 . . . . 0.0 109.09 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.54 -43.09 27.57 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.586 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.11 -46.78 84.99 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.939 0.496 . . . . 0.0 110.242 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -49.43 -49.65 44.16 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.535 1.134 . . . . 0.0 110.437 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.35 -52.91 42.24 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.716 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.23 -36.72 82.86 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.72 -56.62 4.44 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 121.197 0.522 . . . . 0.0 112.139 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -77.41 -40.17 44.53 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -172.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -93.02 -45.3 7.99 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.108 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -99.41 -1.22 39.22 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.14 -1.024 . . . . 0.0 113.719 -173.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.6 m80 57.8 30.68 19.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.214 1.006 . . . . 0.0 112.754 172.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -99.62 -171.07 1.99 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HB2' ' HA ' ' A' ' 45' ' ' ARG . 2.3 tmt_? -72.65 -63.51 1.15 Allowed 'General case' 0 C--N 1.309 -1.168 0 O-C-N 123.187 0.305 . . . . 0.0 111.146 -171.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.0 m -147.39 -176.84 5.39 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.23 139.56 7.56 Favored Glycine 0 N--CA 1.422 -2.292 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HA ' HG23 ' A' ' 17' ' ' THR . 40.2 mtm180 -131.47 153.78 49.4 Favored 'General case' 0 CA--C 1.455 -2.707 0 CA-C-O 122.823 1.297 . . . . 0.0 111.969 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 10.1 t -107.78 108.36 19.53 Favored 'General case' 0 C--N 1.254 -3.56 0 CA-C-N 113.03 -1.896 . . . . 0.0 107.266 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.664 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 22.2 mtp180 -94.47 175.91 6.5 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.022 -174.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -76.55 1.42 16.76 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 122.384 1.088 . . . . 0.0 109.811 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.43 -10.58 59.75 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 113.821 -1.536 . . . . 0.0 108.743 174.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 68.93 18.53 8.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.827 1.251 . . . . 0.0 111.742 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' NH1' HD13 ' A' ' 6' ' ' LEU . 60.3 mtp180 -123.55 160.22 27.48 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 177.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.55 123.58 29.9 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.222 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.664 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 63.4 m95 -114.0 122.43 46.91 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.39 135.02 33.95 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 m -103.9 140.48 37.64 Favored 'General case' 0 N--CA 1.408 -2.534 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HA ' ' HB2' ' A' ' 31' ' ' ARG . 37.7 ptt180 -140.38 152.98 46.19 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -78.83 132.64 36.93 Favored 'General case' 0 N--CA 1.419 -1.995 0 C-N-CA 123.381 0.672 . . . . 0.0 111.47 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 1' ' ' LYS . 14.7 p . . . . . 0 C--N 1.293 -1.864 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.8 pttm . . . . . 0 CA--C 1.49 -1.33 0 CA-C-O 120.58 0.228 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.3 p 63.52 121.92 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 125.663 1.585 . . . . 0.0 113.085 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.5 m -116.61 132.85 56.58 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.078 -173.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.0 tt0 -110.23 133.39 53.28 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.683 0.278 . . . . 0.0 110.266 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -150.01 161.3 42.61 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.7 mt -57.12 146.87 26.29 Favored 'General case' 0 C--N 1.277 -2.57 0 C-N-CA 126.236 1.814 . . . . 0.0 113.176 -175.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.31 147.16 51.53 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -98.14 -30.72 12.49 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.22 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -107.61 9.06 29.43 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -87.16 119.51 27.47 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -115.89 142.5 46.7 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.672 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.31 148.82 22.17 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.4 128.41 26.03 Favored 'Trans proline' 0 C--O 1.245 0.862 0 C-N-CA 122.314 2.009 . . . . 0.0 110.987 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.62 133.72 34.1 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.692 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -133.81 3.72 3.52 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.087 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -144.06 119.32 10.18 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.577 -0.702 . . . . 0.0 111.941 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.549 HG23 ' HA ' ' A' ' 34' ' ' ARG . 25.5 m -59.97 -36.02 76.23 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 122.694 0.398 . . . . 0.0 110.998 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.75 -26.76 69.0 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 121.466 -0.397 . . . . 0.0 112.441 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -83.95 -38.59 20.81 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.8 t -65.75 -52.13 53.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.163 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.95 -43.24 77.3 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 124.001 0.92 . . . . 0.0 110.867 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.34 -48.55 78.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.454 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -64.78 -46.48 81.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.466 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.1 m -64.83 -27.78 69.11 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.727 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -88.21 -56.77 3.18 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -67.46 -46.62 72.5 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.018 0.437 . . . . 0.0 112.13 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -92.38 -53.43 4.22 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.288 -173.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -88.93 -17.4 29.62 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -172.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 57.32 45.1 20.7 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -105.78 -169.08 1.53 Allowed 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.537 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 4.5 tpm_? -60.38 -61.93 2.23 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 122.947 0.499 . . . . 0.0 112.2 -174.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.0 m -163.36 -174.49 3.8 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.54 138.36 7.14 Favored Glycine 0 N--CA 1.419 -2.484 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.549 ' HA ' HG23 ' A' ' 17' ' ' THR . 77.6 mtm180 -125.82 145.24 50.31 Favored 'General case' 0 CA--C 1.462 -2.427 0 CA-C-O 122.277 1.037 . . . . 0.0 112.05 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.4 t -104.32 111.37 23.98 Favored 'General case' 0 C--N 1.268 -2.961 0 CA-C-N 113.762 -1.563 . . . . 0.0 107.514 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -104.5 179.55 4.24 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.606 -173.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.0 -4.51 4.69 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 124.792 1.237 . . . . 0.0 111.767 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.85 -15.34 61.16 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.6 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 68.7 19.76 8.41 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.266 1.426 . . . . 0.0 110.456 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -125.58 159.49 31.99 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.511 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.0 t -86.73 125.08 33.66 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 124.187 0.929 . . . . 0.0 109.47 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 46.5 m95 -113.39 110.68 20.72 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 123.997 0.919 . . . . 0.0 109.734 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 64.4 m -86.74 133.23 33.68 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 8.8 m -92.56 146.19 23.86 Favored 'General case' 0 N--CA 1.404 -2.758 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -135.55 159.01 42.94 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.499 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 81.8 m-20 -69.47 136.75 51.92 Favored 'General case' 0 N--CA 1.409 -2.477 0 C-N-CA 123.361 0.664 . . . . 0.0 109.321 175.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.29 -2.001 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 176.689 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.256 70.7 p 69.17 130.85 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.558 1.943 . . . . 0.0 113.622 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m -123.24 152.01 41.74 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.54 146.02 51.58 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -154.36 164.65 38.28 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.62 145.11 53.21 Favored 'General case' 0 N--CA 1.413 -2.322 0 C-N-CA 124.494 1.118 . . . . 0.0 111.902 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.9 107.99 6.45 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 172.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.79 -4.87 53.95 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -170.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.1 p -116.3 9.48 14.52 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.123 173.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -101.81 89.75 3.77 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -95.39 132.7 40.15 Favored 'General case' 0 C--N 1.275 -2.662 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.761 -175.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.57 -178.47 18.07 Favored Glycine 0 N--CA 1.426 -2.007 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.77 133.66 11.56 Favored 'Trans proline' 0 N--CA 1.445 -1.344 0 C-N-CA 122.533 2.155 . . . . 0.0 111.67 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.7 t -94.38 145.29 24.86 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -127.12 -50.15 1.44 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -112.59 138.58 49.16 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.576 HG23 ' HA ' ' A' ' 34' ' ' ARG . 23.7 m -60.03 -35.94 76.19 Favored 'General case' 0 C--O 1.211 -0.973 0 C-N-CA 123.555 0.742 . . . . 0.0 111.988 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.96 -32.73 83.15 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.166 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 m -74.98 -36.28 62.04 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.92 -48.86 62.25 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.931 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.92 -48.88 74.89 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 125.151 1.38 . . . . 0.0 110.999 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.45 -49.55 76.9 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 123.54 0.525 . . . . 0.0 110.72 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -60.06 -47.82 84.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.692 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.82 -36.22 83.18 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -76.23 -54.83 6.22 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-O 120.466 0.174 . . . . 0.0 111.404 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -64.77 -52.56 56.28 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.653 0.781 . . . . 0.0 112.435 -175.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 10.5 tmtt? -95.12 -50.27 5.14 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.606 -172.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.25 22.3 mt-10 -87.28 -6.0 58.7 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.094 -1.043 . . . . 0.0 112.637 -170.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.2 m80 62.89 26.33 15.5 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 125.279 1.432 . . . . 0.0 112.089 171.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD12 ' CB ' ' A' ' 43' ' ' CYS . 85.0 mt -97.34 -171.9 2.3 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.672 -177.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -68.69 -56.08 9.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.657 0.742 . . . . 0.0 111.019 -171.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 m -160.85 -175.44 4.94 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.05 138.36 7.7 Favored Glycine 0 N--CA 1.42 -2.42 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.576 ' HA ' HG23 ' A' ' 17' ' ' THR . 24.9 mtm180 -124.02 142.48 51.14 Favored 'General case' 0 CA--C 1.452 -2.813 0 CA-C-O 122.481 1.134 . . . . 0.0 111.943 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 11.1 t -96.5 125.25 40.85 Favored 'General case' 0 C--N 1.261 -3.242 0 CA-C-N 113.484 -1.689 . . . . 0.0 106.972 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.67 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 71.5 mtp180 -108.64 161.8 14.74 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.728 -177.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.38 -10.16 30.98 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.591 1.156 . . . . 0.0 113.643 -169.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -88.37 11.45 16.78 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.936 0.874 . . . . 0.0 110.311 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 71.03 21.97 4.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.706 1.202 . . . . 0.0 112.765 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -121.63 148.89 43.96 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.445 -0.902 . . . . 0.0 111.893 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.6 t -83.67 132.14 34.89 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.328 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.67 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 49.9 m95 -121.32 122.37 39.71 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.413 ' CB ' HD12 ' A' ' 30' ' ' LEU . 84.2 m -89.54 129.69 35.98 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 m -93.29 135.25 34.69 Favored 'General case' 0 N--CA 1.411 -2.402 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -137.31 146.97 45.28 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.644 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -63.27 127.28 30.58 Favored 'General case' 0 N--CA 1.414 -2.228 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 C--N 1.283 -2.313 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -170.175 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt . . . . . 0 C--O 1.238 0.49 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.9 p -126.55 137.47 53.35 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.3 m -134.4 151.9 51.48 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 26.4 tt0 -139.04 129.64 25.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -139.06 160.73 39.09 Favored 'General case' 0 CA--C 1.478 -1.79 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.68 139.35 58.31 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.426 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 10' ' ' TYR . . . -58.51 128.03 35.14 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 123.788 0.68 . . . . 0.0 109.658 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -74.79 -30.45 61.44 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.258 -172.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 p -113.43 7.88 17.71 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.452 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 47.7 t80 -98.06 106.42 18.71 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -110.13 130.57 55.52 Favored 'General case' 0 C--N 1.278 -2.502 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -175.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.83 179.11 22.17 Favored Glycine 0 N--CA 1.431 -1.664 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.561 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -66.73 151.78 81.89 Favored 'Trans proline' 0 C--O 1.247 0.934 0 C-N-CA 123.223 2.616 . . . . 0.0 112.662 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 34.7 t -121.03 145.07 48.17 Favored 'General case' 0 C--N 1.289 -2.034 0 C-N-CA 125.092 1.357 . . . . 0.0 108.614 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -124.62 -39.94 2.25 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 123.26 0.35 . . . . 0.0 110.896 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.2 p -114.04 129.41 56.61 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -175.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.614 HG23 ' HA ' ' A' ' 34' ' ' ARG . 20.0 m -62.48 -33.96 75.89 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.096 176.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.95 -36.66 93.18 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 121.399 -0.429 . . . . 0.0 112.078 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 m -76.31 -33.99 59.05 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.454 0.645 . . . . 0.0 109.471 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.6 t -66.13 -46.68 76.67 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.086 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.13 -43.18 99.12 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.998 0.428 . . . . 0.0 110.548 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.4 -44.29 76.04 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.913 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -66.48 -56.58 10.24 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.458 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.32 -36.82 81.17 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -71.95 -55.53 7.3 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -82.8 -52.71 6.49 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 121.892 -0.505 . . . . 0.0 112.073 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -71.4 -40.39 70.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.794 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -107.69 -5.46 17.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -175.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 59.17 33.14 22.6 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.879 0.872 . . . . 0.0 113.015 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.71 -172.22 2.11 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.728 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -69.17 -62.88 1.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.928 0.394 . . . . 0.0 110.759 -172.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 m -152.54 -176.64 5.8 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.38 140.75 8.99 Favored Glycine 0 N--CA 1.421 -2.316 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.614 ' HA ' HG23 ' A' ' 17' ' ' THR . 73.8 mtm180 -134.03 145.41 49.41 Favored 'General case' 0 CA--C 1.472 -2.032 0 CA-C-O 122.135 0.969 . . . . 0.0 112.035 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.0 t -106.39 98.81 8.44 Favored 'General case' 0 C--N 1.274 -2.711 0 CA-C-N 114.267 -1.333 . . . . 0.0 109.153 -176.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 24.6 mtp180 -71.39 171.33 11.42 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.99 -176.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.7 -13.84 60.08 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.393 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.19 -7.2 34.28 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 125.644 1.578 . . . . 0.0 110.646 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 65.19 35.8 7.57 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 122.106 0.955 . . . . 0.0 108.564 -175.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -132.63 143.5 49.71 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.01 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.9 t -85.29 125.25 32.76 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.54 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 53.5 m95 -116.55 126.55 53.48 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 124.452 1.101 . . . . 0.0 108.709 178.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.3 m -97.87 133.52 42.25 Favored 'General case' 0 C--N 1.284 -2.245 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 m -90.67 140.87 29.36 Favored 'General case' 0 N--CA 1.414 -2.248 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -147.66 143.06 27.38 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.008 0.432 . . . . 0.0 111.416 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -72.27 130.59 41.14 Favored 'General case' 0 N--CA 1.411 -2.384 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.286 -2.181 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -179.362 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp . . . . . 0 CA--C 1.505 -0.773 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . 0.262 31.8 p 60.4 113.62 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 125.278 1.431 . . . . 0.0 114.244 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.7 m -93.65 135.9 34.47 Favored 'General case' 0 C--N 1.267 -2.995 0 CA-C-N 113.643 -1.617 . . . . 0.0 107.148 -176.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.546 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.6 tt0 -146.39 134.89 22.04 Favored 'General case' 0 N--CA 1.41 -2.456 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -173.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -142.74 167.15 22.76 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.56 144.61 54.51 Favored 'General case' 0 N--CA 1.401 -2.888 0 C-N-CA 123.289 0.635 . . . . 0.0 111.829 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 115.71 8.82 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -75.64 -22.52 56.71 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -171.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.462 HG23 ' CE1' ' A' ' 23' ' ' HIS . 10.1 t -111.95 14.64 20.89 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 119.579 -0.848 . . . . 0.0 111.967 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -98.9 102.08 13.68 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -103.58 127.99 50.9 Favored 'General case' 0 C--N 1.278 -2.503 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.7 153.84 8.55 Favored Glycine 0 N--CA 1.422 -2.271 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -61.56 131.24 34.9 Favored 'Trans proline' 0 C--O 1.241 0.67 0 C-N-CA 122.541 2.161 . . . . 0.0 109.966 174.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.4 t -102.66 151.77 21.98 Favored 'General case' 0 C--N 1.286 -2.195 0 C-N-CA 123.751 0.82 . . . . 0.0 109.341 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -132.5 -38.22 1.04 Allowed 'General case' 0 C--N 1.315 -0.899 0 O-C-N 123.514 0.509 . . . . 0.0 112.087 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.2 m -112.3 138.0 49.64 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 121.745 0.783 . . . . 0.0 113.109 -173.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' HA ' ' A' ' 34' ' ' ARG . 39.1 m -64.53 -44.88 89.43 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 123.809 0.843 . . . . 0.0 112.236 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.33 -37.22 93.68 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.531 -0.366 . . . . 0.0 113.516 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 p -72.98 -32.13 64.99 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.385 0.612 . . . . 0.0 110.085 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -69.21 -48.13 62.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.978 174.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.98 -48.21 78.93 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 124.396 1.078 . . . . 0.0 111.116 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.88 -47.01 60.65 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.154 0.982 . . . . 0.0 110.509 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.462 ' CE1' HG23 ' A' ' 9' ' ' THR . 59.0 t60 -65.95 -47.88 73.19 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.329 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.8 m -64.99 -32.34 74.01 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -78.66 -56.62 4.28 Favored 'General case' 0 N--CA 1.42 -1.97 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -71.92 -42.3 66.87 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -174.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -96.77 -48.04 5.63 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.012 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -93.61 -4.65 50.41 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.424 -0.911 . . . . 0.0 112.753 -173.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.7 m80 55.11 34.43 22.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.805 1.242 . . . . 0.0 113.85 172.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD12 ' CB ' ' A' ' 43' ' ' CYS . 78.9 mt -101.42 -174.3 2.57 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' HD2' HD22 ' A' ' 46' ' ' ASN . 40.9 ttt180 -69.35 -56.51 7.28 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.052 0.454 . . . . 0.0 112.186 -170.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 m -151.63 178.8 8.97 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.22 152.19 23.49 Favored Glycine 0 N--CA 1.417 -2.575 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.556 ' HA ' HG23 ' A' ' 17' ' ' THR . 64.1 mtm180 -136.93 145.34 44.14 Favored 'General case' 0 CA--C 1.447 -2.984 0 CA-C-O 122.146 0.974 . . . . 0.0 111.737 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 t -104.34 92.5 4.36 Favored 'General case' 0 C--N 1.255 -3.503 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 59.8 mtp180 -82.15 178.02 8.49 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 114.524 -1.216 . . . . 0.0 112.637 -171.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -70.89 11.31 0.4 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.184 0.993 . . . . 0.0 113.264 -173.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.43 -7.17 48.34 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 66.44 30.12 8.88 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 122.451 1.12 . . . . 0.0 108.743 -173.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -130.71 151.61 50.97 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.26 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.0 t -85.67 127.36 34.47 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 114.418 -1.264 . . . . 0.0 108.839 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.546 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 61.6 m95 -115.65 136.3 53.2 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.436 ' CB ' HD12 ' A' ' 30' ' ' LEU . 63.1 m -108.87 140.15 42.72 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.1 t -121.44 152.36 39.17 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.479 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -143.51 142.43 31.14 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.4 HD22 ' HD2' ' A' ' 31' ' ' ARG . 3.1 m-80 -64.54 142.04 58.56 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -178.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.427 -1.588 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 178.411 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.8 mptt . . . . . 0 CA--C 1.511 -0.523 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.3 p -118.58 130.85 56.12 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 120.717 0.294 . . . . 0.0 110.395 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.9 m -122.58 146.62 47.27 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.405 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.4 tt0 -130.03 136.04 48.95 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.612 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -141.32 155.44 45.96 Favored 'General case' 0 CA--C 1.482 -1.67 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.789 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.24 140.48 44.57 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 124.067 0.947 . . . . 0.0 111.405 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -78.85 93.26 4.98 Favored 'General case' 0 N--CA 1.413 -2.286 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 172.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.27 -13.61 61.95 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.576 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -97.06 4.66 51.27 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-O 122.596 1.188 . . . . 0.0 109.127 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -111.49 112.96 25.06 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -122.56 131.17 53.71 Favored 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.03 160.87 10.08 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.42 119.54 6.56 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.365 2.043 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.79 122.54 24.21 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -97.27 -41.7 8.15 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.854 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.6 p -135.52 154.27 51.45 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 120.793 0.33 . . . . 0.0 111.489 -176.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.48 HG23 ' HA ' ' A' ' 34' ' ' ARG . 19.4 m -61.77 -31.34 71.53 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.202 173.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.08 -31.61 81.39 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.745 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 t -76.0 -26.49 56.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.014 0.912 . . . . 0.0 108.818 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -84.87 -50.76 7.26 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.79 -177.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.74 -45.69 81.81 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 123.725 0.81 . . . . 0.0 111.577 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.21 -48.13 81.31 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.06 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -59.19 -49.15 78.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.594 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.5 m -63.69 -31.07 72.12 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -84.13 -53.08 5.77 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -64.72 -50.52 66.61 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.969 0.908 . . . . 0.0 111.662 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -96.38 -51.33 4.41 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -174.307 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -88.28 -12.71 42.79 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 119.225 -0.99 . . . . 0.0 112.817 -171.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 64.1 m80 59.44 36.88 23.24 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.566 1.146 . . . . 0.0 112.72 175.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -102.15 -170.64 1.84 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.48 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -63.46 -62.37 1.72 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.577 0.703 . . . . 0.0 111.79 -172.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 m -157.91 -176.41 5.91 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 -177.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.11 139.05 7.87 Favored Glycine 0 N--CA 1.421 -2.331 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.48 ' HA ' HG23 ' A' ' 17' ' ' THR . 70.9 mtm180 -127.53 145.99 50.67 Favored 'General case' 0 CA--C 1.465 -2.3 0 CA-C-O 122.165 0.983 . . . . 0.0 112.057 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.6 t -92.73 121.38 34.07 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 113.622 -1.627 . . . . 0.0 107.413 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HD3' ' CG ' ' A' ' 42' ' ' TRP . 34.6 mtp180 -116.83 174.45 6.08 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.729 -0.789 . . . . 0.0 112.858 -175.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -66.79 1.23 1.93 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.853 1.261 . . . . 0.0 114.403 -173.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.04 -5.34 59.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 69.49 20.71 7.08 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 124.44 1.096 . . . . 0.0 108.705 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -121.5 160.56 23.98 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.479 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -84.05 139.3 32.59 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.894 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CG ' ' HD3' ' A' ' 36' ' ' ARG . 47.1 m95 -125.08 120.75 32.33 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 123.849 0.859 . . . . 0.0 108.98 177.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 81.6 m -91.9 132.31 36.58 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 m -94.95 138.15 33.08 Favored 'General case' 0 N--CA 1.402 -2.856 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -133.31 140.19 47.29 Favored 'General case' 0 C--N 1.282 -2.337 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.91 126.61 30.18 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.272 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.285 -2.232 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? . . . . . 0 CA--C 1.492 -1.27 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 p -132.33 121.85 24.18 Favored 'General case' 0 N--CA 1.412 -2.359 0 CA-C-O 121.708 0.766 . . . . 0.0 109.318 173.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.4 m -99.68 130.87 45.94 Favored 'General case' 0 C--N 1.257 -3.438 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 36.3 tt0 -126.21 131.8 51.89 Favored 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -137.91 161.72 35.91 Favored 'General case' 0 CA--C 1.471 -2.059 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -69.54 144.32 53.15 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.553 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.06 120.91 14.47 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -74.91 -31.11 61.47 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.253 -172.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 p -100.66 11.71 38.95 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.518 0.675 . . . . 0.0 112.177 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -110.19 108.55 18.72 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -121.17 98.79 6.15 Favored 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.739 -173.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.5 -179.0 24.74 Favored Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.24 139.13 20.87 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 122.414 2.076 . . . . 0.0 111.675 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 t -110.72 139.39 46.05 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.084 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -136.13 9.67 3.26 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.323 0.389 . . . . 0.0 110.761 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.7 m -146.22 118.39 8.33 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.081 0.467 . . . . 0.0 111.217 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.587 ' OG1' ' HA ' ' A' ' 34' ' ' ARG . 5.5 t -74.51 -26.11 59.78 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -175.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.5 -34.68 85.07 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.8 t -77.25 -28.73 53.67 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.79 -47.25 60.51 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.7 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.48 -49.41 77.43 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -47.11 -50.45 20.11 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 124.24 0.963 . . . . 0.0 110.36 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -62.43 -51.76 66.25 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.733 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.6 m -66.6 -28.16 68.28 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -77.15 -66.52 0.82 Allowed 'General case' 0 N--CA 1.427 -1.609 0 CA-C-O 121.169 0.509 . . . . 0.0 110.534 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -67.15 -45.74 76.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.204 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -91.21 -42.15 10.59 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -105.1 -3.61 22.89 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -172.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 56.73 35.12 25.73 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.797 1.239 . . . . 0.0 112.956 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -102.72 -176.9 3.23 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.552 -0.718 . . . . 0.0 111.908 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 44' ' ' THR . 17.1 ttp180 -60.73 -57.15 13.89 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 123.928 0.767 . . . . 0.0 111.757 -171.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 m -158.92 178.05 10.5 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.75 140.79 11.04 Favored Glycine 0 C--N 1.282 -2.451 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.587 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 74.8 mtm180 -132.93 141.86 48.58 Favored 'General case' 0 CA--C 1.461 -2.46 0 CA-C-O 122.378 1.085 . . . . 0.0 111.748 178.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 17' ' ' THR . 27.0 t -100.22 105.07 16.61 Favored 'General case' 0 C--N 1.254 -3.548 0 CA-C-N 113.465 -1.698 . . . . 0.0 107.237 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.678 ' HD3' ' CD1' ' A' ' 42' ' ' TRP . 57.0 mtp180 -84.46 163.53 19.39 Favored 'General case' 0 C--N 1.286 -2.189 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.523 -176.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -75.87 12.44 1.09 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.798 1.285 . . . . 0.0 110.369 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' A' ' 36' ' ' ARG . 35.0 t70 -78.31 -9.85 59.42 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 113.068 -1.878 . . . . 0.0 107.535 170.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 72.84 20.34 3.63 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 125.823 1.649 . . . . 0.0 111.859 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -131.57 159.89 36.89 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.58 121.74 31.29 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.089 -0.96 . . . . 0.0 108.667 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.678 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 63.1 m95 -114.21 119.01 35.59 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.243 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.19 134.26 34.1 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 7.1 t -110.84 152.22 26.93 Favored 'General case' 0 N--CA 1.412 -2.35 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -175.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -152.25 152.69 32.51 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -81.94 139.34 34.66 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.294 -1.828 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.162 179.756 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 57.3 mttp . . . . . 0 CA--C 1.498 -1.029 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.4 p -121.2 130.21 53.59 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 121.987 0.898 . . . . 0.0 110.71 177.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.48 136.41 53.11 Favored 'General case' 0 C--N 1.27 -2.86 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -133.15 144.81 50.13 Favored 'General case' 0 C--N 1.292 -1.908 0 C-N-CA 119.541 -0.863 . . . . 0.0 109.043 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -159.28 168.44 26.45 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.61 146.46 53.84 Favored 'General case' 0 N--CA 1.403 -2.785 0 C-N-CA 123.744 0.818 . . . . 0.0 111.772 -176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 136.75 58.02 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.793 175.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -76.38 -41.17 48.94 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.31 0.576 . . . . 0.0 111.304 -173.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 p -105.72 12.6 30.8 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -99.33 104.74 16.66 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -98.42 131.68 44.49 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.158 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.43 -177.08 31.9 Favored Glycine 0 C--O 1.25 1.133 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.63 174.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -72.41 146.06 44.1 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.99 2.46 . . . . 0.0 111.906 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.1 t -104.25 142.23 34.89 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.523 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -126.91 -3.4 6.47 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.158 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.2 m -152.73 125.9 8.59 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 121.891 -0.506 . . . . 0.0 112.061 -173.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' ' 34' ' ' ARG . 21.3 m -63.8 -33.22 75.18 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.54 0.736 . . . . 0.0 110.862 176.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.57 -21.74 65.15 Favored Glycine 0 C--O 1.225 -0.461 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.094 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.8 t -86.02 -42.54 13.89 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.22 -50.09 62.04 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.966 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 14.4 t70 -58.38 -47.12 84.87 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.914 0.388 . . . . 0.0 110.603 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.17 -46.94 72.46 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.34 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -67.42 -51.49 51.06 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.652 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.1 m -64.63 -32.74 74.54 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 5.7 mmtp -81.21 -57.68 3.4 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -81.85 -34.69 29.98 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 1.3 tmtp? -91.35 -52.33 4.85 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.187 -1.005 . . . . 0.0 110.633 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -90.75 -8.99 48.27 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -173.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.488 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 83.5 m-70 60.36 32.36 20.64 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.59 1.156 . . . . 0.0 114.026 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -95.91 -168.03 1.69 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 56.2 ttt180 -65.7 -61.25 2.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.027 0.441 . . . . 0.0 111.877 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.3 m -160.03 -176.32 5.6 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.5 141.21 9.09 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.503 ' HA ' HG23 ' A' ' 17' ' ' THR . 79.8 mtm180 -131.72 146.85 52.39 Favored 'General case' 0 CA--C 1.463 -2.394 0 CA-C-O 122.289 1.042 . . . . 0.0 112.611 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -99.31 107.66 19.99 Favored 'General case' 0 C--N 1.271 -2.82 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -101.87 -177.49 3.43 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.02 -21.04 64.56 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.197 1.399 . . . . 0.0 112.067 -177.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.03 -7.83 53.01 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.097 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 65.43 26.71 11.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.053 1.341 . . . . 0.0 111.717 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -126.03 159.19 33.4 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.763 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.02 119.11 25.05 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.086 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -110.19 120.16 41.57 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.5 m -92.39 133.02 36.28 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.9 m -89.65 136.59 32.95 Favored 'General case' 0 N--CA 1.409 -2.48 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -134.21 136.25 43.56 Favored 'General case' 0 C--N 1.287 -2.11 0 CA-C-O 121.34 0.591 . . . . 0.0 110.108 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.508 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 92.1 m-20 -74.39 135.22 42.41 Favored 'General case' 0 N--CA 1.405 -2.698 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.118 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.284 -2.259 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.52 . . . . . . . . 0 0 . 1 stop_ save_