data_2mdg_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 2mdg _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 5' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 10' ' ' SER . 38.6 ttpt . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.1 t -60.71 -39.98 90.55 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -172.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.14 -49.63 0.54 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 126.144 1.778 . . . . 0.0 110.795 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -59.75 -53.48 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.8 0.84 . . . . 0.0 109.674 174.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.1 -50.31 9.79 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 171.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.406 ' O ' ' HD2' ' A' ' 5' ' ' LYS . 34.5 t 70.3 -0.97 2.64 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.215 1.406 . . . . 0.0 112.356 -174.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -116.13 5.18 13.73 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -172.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -151.15 141.8 22.69 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -170.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.475 ' HB3' HD21 ' A' ' 19' ' ' LEU . 14.5 p90 -169.26 144.48 3.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 128.146 2.578 . . . . 0.0 107.275 162.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -82.43 -32.24 29.1 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 p -172.06 -171.09 0.82 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.697 1.599 . . . . 0.0 107.755 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.6 -42.67 82.07 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.924 0.784 . . . . 0.0 108.891 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -69.95 -36.73 75.5 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.705 0.802 . . . . 0.0 109.475 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.32 -46.17 93.28 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 113.944 -1.48 . . . . 0.0 112.204 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 13' ' ' PHE . 1.3 tm? -65.61 -39.76 91.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.796 0.838 . . . . 0.0 112.343 176.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -56.41 -50.54 71.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.425 0.69 . . . . 0.0 110.816 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.58 -44.05 96.65 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.731 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -68.67 -26.78 65.48 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.089 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.33 -34.34 76.46 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 122.104 -0.373 . . . . 0.0 111.06 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -75.58 -15.01 60.41 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.93 0.892 . . . . 0.0 112.768 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 p -64.22 -15.84 60.81 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.212 0.605 . . . . 0.0 111.905 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 . . . . . 0 N--CA 1.476 0.856 0 C-N-CA 123.177 0.591 . . . . 0.0 111.192 -176.802 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.3 t80 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 43.8 ttm -103.86 137.64 41.58 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.531 ' HA ' HD12 ' A' ' 48' ' ' LEU . 42.1 t -65.97 138.07 96.17 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 123.277 0.631 . . . . 0.0 112.55 -171.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -62.85 -45.53 13.07 Favored 'Trans proline' 0 C--N 1.372 1.778 0 C-N-CA 122.519 2.146 . . . . 0.0 112.07 172.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.68 -54.37 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -170.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 p -118.36 0.04 11.58 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.521 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 68.14 16.13 68.41 Favored Glycine 0 N--CA 1.477 1.397 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -65.07 143.75 57.71 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 117.344 0.572 . . . . 0.0 110.67 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.471 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -111.47 131.77 54.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.616 0.766 . . . . 0.0 109.814 -170.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -130.04 152.66 80.4 Favored Pre-proline 0 N--CA 1.474 0.725 0 C-N-CA 123.924 0.89 . . . . 0.0 109.631 -176.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.72 3.93 2.03 Favored 'Trans proline' 0 C--N 1.38 2.197 0 C-N-CA 123.372 2.715 . . . . 0.0 115.603 -170.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.0 p -161.71 169.37 21.62 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.548 0.689 . . . . 0.0 111.715 173.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -88.41 62.92 6.85 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 167.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -162.18 -55.22 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.6 p -62.65 -40.36 96.79 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.573 168.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 35' ' ' CYS . 2.0 tm? -63.32 -39.06 93.51 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.588 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 m -66.79 -40.58 88.17 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.417 0.687 . . . . 0.0 111.338 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.6 -44.51 93.8 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.605 0.762 . . . . 0.0 110.795 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -59.8 -39.57 85.4 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.777 0.831 . . . . 0.0 111.251 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -62.61 -50.68 70.28 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.189 0.996 . . . . 0.0 110.503 -174.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.41 -40.36 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -172.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.8 p -90.71 13.8 15.15 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.15 0.58 . . . . 0.0 111.615 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER . . . . . 0 CA--C 1.564 1.486 0 C-N-CA 125.918 1.687 . . . . 0.0 113.905 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.2 t -75.07 117.57 17.06 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.63 -29.09 66.5 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 122.785 0.434 . . . . 0.0 111.514 -172.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.77 -49.48 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.32 0.648 . . . . 0.0 110.891 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.0 m -87.18 -26.88 23.34 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.04 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m 73.77 16.61 3.76 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.775 1.63 . . . . 0.0 111.559 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -110.55 177.95 4.53 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.178 0.991 . . . . 0.0 110.14 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -130.06 152.69 49.23 Favored 'General case' 0 C--O 1.243 0.734 0 C-N-CA 123.551 0.74 . . . . 0.0 109.963 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.525 ' HD1' ' H ' ' A' ' 15' ' ' SER . 13.6 t80 -110.14 142.12 42.09 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 171.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -65.62 -6.94 12.61 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.525 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 78.0 p -129.66 147.18 51.43 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 123.885 0.874 . . . . 0.0 109.826 170.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -55.43 -53.64 53.75 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.908 0.483 . . . . 0.0 109.855 168.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -61.06 -29.65 69.86 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.778 0.831 . . . . 0.0 111.789 -174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.38 -43.85 23.74 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.38 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.16 -48.83 74.47 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.078 0.551 . . . . 0.0 110.726 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -55.96 -35.3 66.55 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.97 0.908 . . . . 0.0 111.951 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -69.08 -40.8 78.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.051 0.94 . . . . 0.0 110.71 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -67.06 -41.58 86.2 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.793 1.237 . . . . 0.0 111.786 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.29 -31.46 69.14 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.382 1.473 . . . . 0.0 111.106 -176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -60.15 -18.43 47.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.558 1.143 . . . . 0.0 113.631 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -79.7 -26.47 40.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.448 0.699 . . . . 0.0 110.401 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 . . . . . 0 N--CA 1.48 1.075 0 C-N-CA 123.624 0.77 . . . . 0.0 110.227 175.497 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 p90 . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 123.087 1.422 . . . . 0.0 107.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 55.9 ttp -131.18 122.04 25.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 113.632 -1.622 . . . . 0.0 106.743 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.477 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 42.7 t -75.16 122.72 87.98 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-O 119.227 -0.416 . . . . 0.0 109.912 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.48 -36.92 98.04 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.937 2.425 . . . . 0.0 113.965 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.5 mt -83.87 -55.8 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.44 ' SG ' ' HG3' ' A' ' 40' ' ' GLU . 10.2 p -120.18 -0.01 10.58 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -168.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.477 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 61.89 24.51 64.76 Favored Glycine 0 N--CA 1.475 1.269 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 169.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG3' ' SG ' ' A' ' 38' ' ' CYS . 39.8 mt-10 -65.01 135.23 55.38 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 120.872 0.368 . . . . 0.0 111.983 171.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -95.16 137.57 34.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.726 1.21 . . . . 0.0 109.902 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 89.1 m-85 -124.44 157.78 63.84 Favored Pre-proline 0 N--CA 1.48 1.043 0 C-N-CA 123.457 0.703 . . . . 0.0 111.283 -175.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -63.63 -14.52 43.18 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.565 2.177 . . . . 0.0 112.96 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 p -152.05 172.66 15.95 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 123.604 0.762 . . . . 0.0 111.215 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 tp -95.57 54.33 1.56 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 166.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -137.25 -54.77 0.7 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 42' ' ' PHE . 1.2 p -61.0 -36.06 78.49 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.699 171.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.73 -37.48 84.75 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.304 0.642 . . . . 0.0 110.684 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 m -66.52 -47.07 74.11 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.502 0.721 . . . . 0.0 110.564 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -59.72 -47.9 83.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.027 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -63.27 -36.7 84.52 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.044 0.938 . . . . 0.0 111.979 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -61.41 -49.96 74.78 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.008 0.923 . . . . 0.0 110.318 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.513 HG23 HG23 ' A' ' 54' ' ' THR . 30.0 m -78.27 -39.63 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.513 HG23 HG23 ' A' ' 53' ' ' VAL . 70.5 p -90.15 36.12 0.87 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.894 0.878 . . . . 0.0 111.051 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 . . . . . 0 CA--C 1.552 1.057 0 C-N-CA 123.262 0.625 . . . . 0.0 110.393 -161.698 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 121.205 0.526 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.415 ' HB2' HD22 ' A' ' 19' ' ' LEU . 42.4 t -96.35 107.64 20.04 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 170.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -53.68 -46.96 70.83 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.828 0.851 . . . . 0.0 112.633 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.79 -58.18 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.585 0.754 . . . . 0.0 112.132 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.5 m -66.04 -35.32 80.22 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.055 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 p 82.42 -11.37 1.01 Allowed 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 127.824 2.449 . . . . 0.0 110.684 -168.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -92.32 -175.49 4.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.615 1.166 . . . . 0.0 110.04 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 t -151.31 160.26 43.88 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.111 0.564 . . . . 0.0 110.853 -176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.638 ' HD1' ' H ' ' A' ' 15' ' ' SER . 5.3 t80 -93.74 151.51 19.58 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -69.75 -27.49 64.99 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.142 0.577 . . . . 0.0 111.578 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.638 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 30.5 t -99.85 150.95 21.84 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.999 1.32 . . . . 0.0 109.585 172.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -37.27 56.52 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.238 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -75.11 -42.23 56.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.74 0.816 . . . . 0.0 109.357 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.58 -37.63 33.92 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 114.943 -1.026 . . . . 0.0 114.241 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 6' ' ' CYS . 2.0 tm? -68.53 -38.59 80.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.603 0.761 . . . . 0.0 110.577 176.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -60.32 -41.08 92.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.63 0.581 . . . . 0.0 111.478 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.98 -42.17 76.93 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.225 0.536 . . . . 0.0 110.761 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.09 -27.09 66.71 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.549 1.139 . . . . 0.0 111.888 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -67.98 -20.95 65.09 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.824 0.85 . . . . 0.0 111.231 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -72.24 -20.9 61.47 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.564 0.745 . . . . 0.0 112.081 -176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.9 p -72.51 -8.05 53.12 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.552 0.741 . . . . 0.0 112.022 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 123.367 0.667 . . . . 0.0 112.051 -173.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 C--O 1.239 0.525 0 CA-C-O 121.164 0.507 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.3 ttm -119.84 142.17 48.87 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.899 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' N ' HD23 ' A' ' 48' ' ' LEU . 7.9 t -59.47 131.22 88.03 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 124.65 1.18 . . . . 0.0 112.731 -176.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -60.47 -43.22 34.91 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 123.085 2.523 . . . . 0.0 113.658 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.93 -53.85 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.465 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 30.3 p -125.31 10.07 7.97 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -173.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.86 41.03 97.53 Favored Glycine 0 N--CA 1.478 1.458 0 N-CA-C 119.026 2.37 . . . . 0.0 119.026 161.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 20.1 mp0 -72.46 130.16 40.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.584 0.754 . . . . 0.0 109.65 162.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 129.19 36.49 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -122.7 151.62 60.72 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 123.913 0.885 . . . . 0.0 110.137 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.36 -14.73 45.42 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 123.382 2.722 . . . . 0.0 113.804 -176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 p -151.58 164.0 37.83 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.518 0.675 . . . . 0.0 111.717 -176.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.27 57.46 4.04 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 85.3 mt -146.63 -55.95 0.26 Allowed 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.9 p -71.25 -37.92 71.94 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 113.802 -1.544 . . . . 0.0 111.544 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 35' ' ' CYS . 3.0 tm? -61.79 -43.81 98.12 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.552 0.741 . . . . 0.0 110.024 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.0 m -63.23 -41.69 99.14 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 124.105 0.878 . . . . 0.0 111.426 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 46.9 mt-10 -58.15 -42.54 86.12 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.559 0.744 . . . . 0.0 111.208 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -64.82 -42.03 95.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.723 0.64 . . . . 0.0 111.136 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 39.6 ttpt -67.71 -37.63 82.52 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.405 -173.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.9 m -76.85 -28.48 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 122.461 0.304 . . . . 0.0 111.663 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.8 p -87.98 12.97 11.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.143 0.577 . . . . 0.0 112.183 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.56 1.331 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.243 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 C--O 1.238 0.457 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.88 97.59 1.44 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -56.34 -36.99 69.37 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.236 1.014 . . . . 0.0 112.499 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.44 -47.7 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.705 0.802 . . . . 0.0 111.293 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.9 m -85.67 -33.4 21.58 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.291 0.636 . . . . 0.0 111.602 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t 77.44 11.62 2.18 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 126.694 1.998 . . . . 0.0 111.579 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.2 149.91 22.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.144 0.977 . . . . 0.0 110.251 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -93.87 155.52 17.14 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.645 0.736 . . . . 0.0 111.658 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.42 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -81.61 -175.12 5.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.561 169.292 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -125.93 -52.17 1.55 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 171.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.8 p -116.3 153.56 31.73 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 125.037 1.335 . . . . 0.0 108.123 171.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.25 -33.82 76.61 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.659 0.384 . . . . 0.0 111.322 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -73.51 -26.13 60.75 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.13 -38.99 96.74 Favored Glycine 0 C--N 1.353 1.512 0 O-C-N 123.91 0.756 . . . . 0.0 112.244 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.08 -48.8 78.56 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.965 0.506 . . . . 0.0 109.805 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -60.92 -31.24 70.77 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.224 0.952 . . . . 0.0 112.309 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -67.38 -48.95 65.89 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.047 0.939 . . . . 0.0 109.269 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -68.56 -28.36 66.89 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.084 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.45 -33.91 70.26 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.863 1.265 . . . . 0.0 112.285 -173.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -74.91 -19.25 60.21 Favored 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.538 -169.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.1 p -76.86 -9.4 58.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.05 0.54 . . . . 0.0 112.182 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 N--CA 1.484 1.272 0 C-N-CA 123.079 0.552 . . . . 0.0 110.74 176.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--O 1.242 0.702 0 CA-C-O 122.597 1.189 . . . . 0.0 107.831 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.5 ttt -134.11 134.55 42.38 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 113.721 -1.581 . . . . 0.0 107.456 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.0 t -60.42 132.48 90.73 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.744 0.818 . . . . 0.0 112.118 -176.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -66.2 -39.45 18.0 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.564 2.176 . . . . 0.0 112.965 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.8 mt -80.75 -52.61 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.427 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 28.0 p -128.82 8.47 5.75 Favored 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.61 39.72 97.88 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 118.616 2.206 . . . . 0.0 118.616 162.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.427 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 19.0 mp0 -70.89 125.06 25.81 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.513 0.725 . . . . 0.0 110.54 166.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 140.59 29.4 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 168.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -118.36 175.93 1.88 Allowed Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 123.328 0.651 . . . . 0.0 111.826 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.98 -39.87 47.42 Favored 'Trans proline' 0 C--N 1.392 2.852 0 C-N-CA 122.608 2.205 . . . . 0.0 112.96 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.6 m -155.15 176.49 12.48 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.656 0.782 . . . . 0.0 110.442 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 tp -85.99 76.15 9.87 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.703 0.801 . . . . 0.0 109.96 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -156.71 -53.36 0.08 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.4 p -67.74 -25.49 65.66 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.643 174.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.91 -41.05 87.76 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.778 0.674 . . . . 0.0 110.257 172.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.6 m -65.51 -42.63 91.85 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.115 0.966 . . . . 0.0 110.541 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -62.83 -42.15 99.62 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.849 -1.068 . . . . 0.0 111.228 176.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -62.5 -34.76 77.52 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.108 0.563 . . . . 0.0 111.593 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -67.12 -42.29 84.75 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 123.865 0.728 . . . . 0.0 111.624 -177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.19 -36.18 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.03 0 C-N-CA 123.015 0.526 . . . . 0.0 112.006 -175.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.5 p -97.95 38.48 1.3 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.942 0.897 . . . . 0.0 110.895 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 CA--C 1.559 1.298 0 C-N-CA 122.71 0.404 . . . . 0.0 111.457 -165.19 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.461 ' HB2' ' HZ3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.466 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.83 103.88 10.97 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -42.45 -54.29 3.92 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.943 1.697 . . . . 0.0 113.665 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.11 -45.77 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 124.106 0.879 . . . . 0.0 111.448 -173.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.4 m -81.85 -34.23 30.25 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.354 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p 76.6 2.13 3.38 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 128.712 2.805 . . . . 0.0 112.957 -170.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -84.1 149.84 25.95 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.956 0.902 . . . . 0.0 110.599 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 t -91.54 162.03 14.7 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.751 0.82 . . . . 0.0 112.25 -174.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -178.83 6.89 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.255 169.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -135.56 -42.65 0.69 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 166.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -110.84 139.2 46.36 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.745 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.3 -36.83 79.92 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.226 0.61 . . . . 0.0 111.748 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -74.23 -25.73 59.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.332 0.653 . . . . 0.0 110.372 176.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.03 -40.72 98.45 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 124.004 0.815 . . . . 0.0 113.21 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.59 -46.82 87.82 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.338 0.59 . . . . 0.0 109.924 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -68.25 -30.85 69.98 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.609 -175.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -71.78 -46.19 59.15 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.062 0.945 . . . . 0.0 109.859 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -62.3 -27.05 68.77 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.195 -1.366 . . . . 0.0 111.602 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -59.24 -20.25 52.52 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.705 0.802 . . . . 0.0 113.159 -174.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -76.57 -22.66 53.99 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.016 0.927 . . . . 0.0 112.124 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 p -61.73 -23.73 66.34 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.446 1.099 . . . . 0.0 113.936 -168.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 C-N-CA 123.348 0.659 . . . . 0.0 111.485 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 121.332 0.586 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.4 ttp -97.52 141.86 30.06 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.645 1.178 . . . . 0.0 109.374 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.42 133.22 94.5 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 123.925 0.89 . . . . 0.0 111.544 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.1 -44.12 47.0 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 123.014 2.476 . . . . 0.0 113.543 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.7 mt -89.73 -54.86 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.21 0 N-CA-C 113.061 0.764 . . . . 0.0 113.061 -168.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.475 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 19.0 p -120.92 9.32 10.6 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.41 34.94 91.31 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 118.307 2.083 . . . . 0.0 118.307 163.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 20.7 mp0 -70.16 126.01 28.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.228 1.011 . . . . 0.0 110.305 164.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.429 ' H ' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -88.61 132.55 34.5 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 174.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -124.22 154.84 68.73 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 123.867 0.867 . . . . 0.0 110.565 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -63.01 -22.59 73.82 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 123.136 2.557 . . . . 0.0 114.631 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.7 p -149.06 165.5 31.51 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.362 0.601 . . . . 0.0 111.697 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tt -88.85 60.12 5.36 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 172.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 3.9 tt -158.22 -54.71 0.07 Allowed 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 p -63.2 -43.02 99.35 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 123.975 0.797 . . . . 0.0 110.818 171.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.5 -36.82 83.74 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.265 0.626 . . . . 0.0 109.901 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -65.64 -41.59 92.44 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.962 0.789 . . . . 0.0 111.361 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 16.7 mm-40 -58.23 -43.15 87.63 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.386 0.674 . . . . 0.0 110.85 176.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -68.89 -34.57 75.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.25 0.62 . . . . 0.0 110.895 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.55 -43.78 68.81 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.992 0.917 . . . . 0.0 111.909 -176.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.483 HG23 HG21 ' A' ' 54' ' ' THR . 34.6 m -78.19 -42.77 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 123.124 0.569 . . . . 0.0 112.177 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.483 HG21 HG23 ' A' ' 53' ' ' VAL . 74.8 p -97.96 29.4 3.47 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.278 0.631 . . . . 0.0 110.317 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 CA--C 1.556 1.2 0 C-N-CA 124.477 1.111 . . . . 0.0 112.11 176.679 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp . . . . . 0 C--O 1.241 0.633 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.411 ' N ' HD22 ' A' ' 19' ' ' LEU . 42.4 t -55.5 104.05 0.11 Allowed 'General case' 0 C--O 1.21 -0.987 0 C-N-CA 124.322 1.049 . . . . 0.0 112.307 -169.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -58.42 -21.51 51.06 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -75.92 -58.21 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 C-N-CA 123.399 0.68 . . . . 0.0 110.801 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.4 m -89.6 -51.27 5.61 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 122.993 0.517 . . . . 0.0 111.219 -175.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 m 78.27 8.89 2.22 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.482 1.913 . . . . 0.0 112.424 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -59.61 -54.05 50.91 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -178.09 179.15 0.86 Allowed 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.525 0.679 . . . . 0.0 112.482 -160.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -168.35 152.7 6.1 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.841 2.056 . . . . 0.0 106.92 168.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -83.98 -52.01 6.67 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 t -149.71 -171.78 3.98 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 113.556 -1.656 . . . . 0.0 107.066 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.67 -35.91 81.18 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 118.488 0.585 . . . . 0.0 109.703 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -72.54 -33.68 67.0 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.753 0.821 . . . . 0.0 109.491 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.37 -46.35 91.92 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.998 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 6' ' ' CYS . 1.6 tm? -63.86 -40.75 97.28 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.106 0.562 . . . . 0.0 111.68 175.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -58.12 -40.95 82.54 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.064 0.546 . . . . 0.0 111.71 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.85 -45.06 94.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.702 0.801 . . . . 0.0 109.584 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -65.37 -34.27 77.92 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.286 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.8 -22.09 63.79 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.205 1.002 . . . . 0.0 112.044 -171.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -64.57 -13.96 55.4 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.762 1.225 . . . . 0.0 113.441 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.1 p -71.45 -14.01 62.01 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.076 0.55 . . . . 0.0 110.443 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 . . . . . 0 N--CA 1.479 0.99 0 C-N-CA 124.334 1.054 . . . . 0.0 110.387 -178.026 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.429 ' HD2' ' HG ' ' A' ' 48' ' ' LEU . 3.6 t80 . . . . . 0 C--O 1.243 0.717 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 54.9 ttp -106.39 129.65 54.35 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.041 1.336 . . . . 0.0 107.459 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.502 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 36.4 t -61.77 129.06 91.25 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 122.305 0.242 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.36 -28.48 71.79 Favored 'Trans proline' 0 C--N 1.367 1.533 0 C-N-CA 122.429 2.086 . . . . 0.0 112.797 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.6 mt -94.62 -51.41 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.5 p -131.24 15.48 5.08 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.502 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 43.54 36.92 3.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 120.491 2.957 . . . . 0.0 120.491 161.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.73 156.18 25.13 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 118.773 1.287 . . . . 0.0 110.476 165.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -83.39 126.43 32.72 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.981 0.912 . . . . 0.0 111.026 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -119.91 141.85 32.13 Favored Pre-proline 0 N--CA 1.481 1.099 0 C-N-CA 123.144 0.578 . . . . 0.0 110.216 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -69.47 -6.06 17.54 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 123.52 2.813 . . . . 0.0 114.374 -174.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -154.38 167.99 28.13 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.77 0.795 . . . . 0.0 111.665 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.98 47.75 1.44 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 113.891 -1.504 . . . . 0.0 107.466 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 78.0 mt -144.69 -53.38 0.31 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -64.52 -36.31 83.78 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.714 174.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HG ' ' HD2' ' A' ' 33' ' ' TYR . 3.1 tm? -63.16 -40.54 97.84 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.31 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.4 m -64.72 -39.67 94.03 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.75 0.82 . . . . 0.0 111.44 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 35.4 mm-40 -59.66 -46.31 89.4 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.702 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -61.52 -41.43 97.3 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.12 0.968 . . . . 0.0 111.181 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.53 -35.02 75.07 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.236 1.015 . . . . 0.0 112.811 -172.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.6 m -78.11 -29.05 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 122.465 0.306 . . . . 0.0 111.291 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -95.66 33.96 1.56 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.554 0.741 . . . . 0.0 110.813 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 . . . . . 0 CA--C 1.55 0.968 0 CA-C-O 119.443 -0.313 . . . . 0.0 110.208 -165.773 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.579 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 5.6 ttpm? . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.25 93.0 2.79 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 163.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -40.17 -45.19 1.98 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 125.661 1.584 . . . . 0.0 114.874 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -55.69 -45.35 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 123.959 0.904 . . . . 0.0 111.035 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -88.58 -31.78 18.46 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.973 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t 72.41 8.83 5.78 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.292 1.837 . . . . 0.0 111.413 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -107.74 -174.74 2.6 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.499 0.719 . . . . 0.0 110.214 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -148.55 160.25 43.28 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.361 0.6 . . . . 0.0 112.412 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.539 ' HD1' ' H ' ' A' ' 15' ' ' SER . 22.0 t80 -99.97 152.06 20.62 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 169.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.21 1.12 1.11 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.539 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 30.0 t -133.82 146.56 50.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.552 1.141 . . . . 0.0 109.237 172.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.3 91.68 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.584 0.552 . . . . 0.0 110.193 173.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -70.91 -27.76 64.02 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.841 0.857 . . . . 0.0 110.104 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.39 -37.89 40.19 Favored Glycine 0 C--N 1.344 0.988 0 O-C-N 123.995 0.81 . . . . 0.0 112.217 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -64.56 -46.4 82.97 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.945 0.898 . . . . 0.0 110.382 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.585 HH21 HD11 ' A' ' 23' ' ' LEU . 2.9 mmp_? -53.93 -48.44 70.22 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.697 0.799 . . . . 0.0 111.257 172.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.29 -26.96 66.8 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.687 0.795 . . . . 0.0 111.431 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -73.3 -46.93 46.75 Favored 'General case' 0 C--O 1.208 -1.081 0 C-N-CA 123.019 0.528 . . . . 0.0 110.134 172.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.585 HD11 HH21 ' A' ' 20' ' ' ARG . 7.0 tt -66.78 -26.29 66.89 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.876 0.87 . . . . 0.0 112.752 -167.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -64.26 -13.81 51.78 Favored 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.1 p -68.7 -25.16 64.64 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.234 0.613 . . . . 0.0 110.53 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 . . . . . 0 N--CA 1.475 0.818 0 C-N-CA 123.353 0.661 . . . . 0.0 109.29 179.071 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 p90 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 28.0 ttt -130.35 122.03 27.11 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.0 t -82.82 112.01 34.24 Favored Pre-proline 0 CA--C 1.544 0.746 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 172.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -27.75 -55.8 0.12 Allowed 'Trans proline' 0 C--N 1.391 2.809 1 C-N-CA 126.087 4.525 . . . . 0.0 116.447 -166.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.3 mt -89.98 -49.96 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 C-N-CA 123.218 0.607 . . . . 0.0 111.654 -172.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.83 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -101.2 -41.91 6.54 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -167.467 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.05 39.69 19.02 Favored Glycine 0 C--N 1.354 1.564 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.83 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 25.7 mm-40 -63.98 123.47 19.08 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 172.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.03 133.81 48.6 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.141 0.977 . . . . 0.0 110.901 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -138.03 154.14 74.02 Favored Pre-proline 0 N--CA 1.482 1.172 0 C-N-CA 123.576 0.75 . . . . 0.0 110.878 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -57.37 -24.29 59.71 Favored 'Trans proline' 0 C--N 1.385 2.456 0 C-N-CA 123.7 2.933 . . . . 0.0 114.139 -176.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.4 m -155.71 166.29 33.96 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.536 0.735 . . . . 0.0 110.401 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -89.06 61.78 5.99 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-O 122.273 1.035 . . . . 0.0 108.582 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -149.96 -55.83 0.17 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -61.37 -36.13 79.37 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.567 172.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.7 -43.64 98.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.106 0.962 . . . . 0.0 110.244 172.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.411 HG23 ' NZ ' ' A' ' 52' ' ' LYS . 21.1 m -65.86 -45.88 80.5 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.622 0.769 . . . . 0.0 111.506 -175.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -59.33 -39.04 81.86 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.12 0.968 . . . . 0.0 111.103 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -70.59 -45.31 65.58 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' NZ ' HG23 ' A' ' 49' ' ' THR . 20.8 pttm -65.4 -34.07 77.45 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -165.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.38 -29.08 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.524 0.73 . . . . 0.0 111.927 -174.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.2 p -75.77 13.28 0.85 Allowed 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -176.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 . . . . . 0 CA--C 1.547 0.837 0 CA-C-O 118.585 -0.721 . . . . 0.0 109.339 173.496 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.5 t -75.31 92.98 2.82 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 172.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -49.24 -38.04 25.38 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 124.861 1.264 . . . . 0.0 113.293 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 t -58.99 -45.54 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.749 0.785 . . . . 0.0 111.138 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.8 m -84.38 -27.7 27.47 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.247 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 p 70.97 11.47 7.03 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.672 2.389 . . . . 0.0 111.744 -169.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -97.35 165.44 12.02 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.253 1.021 . . . . 0.0 111.559 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 t -96.5 160.24 14.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.457 0.703 . . . . 0.0 112.34 -172.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -174.99 3.67 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.419 169.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -125.48 -59.19 1.39 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 105.69 -1.966 . . . . 0.0 105.69 170.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 p -109.53 153.75 23.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.191 0.997 . . . . 0.0 108.833 168.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -65.87 -33.18 75.25 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.837 0.455 . . . . 0.0 110.653 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -73.09 -30.74 63.89 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.421 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.33 99.16 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.426 175.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.14 -44.01 92.04 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.086 0.555 . . . . 0.0 110.586 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -60.99 -47.46 86.37 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.592 0.757 . . . . 0.0 112.25 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.54 -42.41 92.28 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.897 0.879 . . . . 0.0 110.626 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -67.96 -39.3 83.39 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.407 1.083 . . . . 0.0 110.29 176.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.42 -35.34 69.95 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.422 1.089 . . . . 0.0 111.85 -171.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -72.16 -17.17 61.97 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.019 0.928 . . . . 0.0 112.905 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -9.26 58.52 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.792 0.437 . . . . 0.0 111.281 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 . . . . . 0 N--CA 1.483 1.219 0 C-N-CA 123.015 0.526 . . . . 0.0 111.058 177.549 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 N--CA 1.473 0.716 0 CA-C-O 121.31 0.576 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 56.8 ttp -106.49 133.02 51.81 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.366 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.424 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 35.2 t -60.12 116.58 18.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 123.998 0.919 . . . . 0.0 111.571 -176.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -63.54 -25.81 69.87 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 123.046 2.497 . . . . 0.0 112.551 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.3 mt -78.84 -53.91 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 O-C-N 123.558 0.536 . . . . 0.0 112.213 -173.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.497 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 23.3 p -127.25 -39.56 1.89 Allowed 'General case' 0 C--N 1.362 1.114 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 35' ' ' CYS . . . 119.62 49.08 0.32 Allowed Glycine 0 C--N 1.363 2.047 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 157.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 14.7 mp0 -79.69 125.44 29.65 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.669 1.188 . . . . 0.0 110.171 168.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -83.81 123.32 29.77 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.435 ' HD2' HD23 ' A' ' 48' ' ' LEU . 51.4 m-85 -116.93 155.25 49.47 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.342 1.057 . . . . 0.0 110.437 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.08 -22.83 25.58 Favored 'Trans proline' 0 C--N 1.387 2.561 0 C-N-CA 122.83 2.353 . . . . 0.0 112.668 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.6 p -158.36 168.89 25.76 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 121.505 0.669 . . . . 0.0 111.785 -171.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -87.58 71.0 9.8 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.5 mt -152.1 -54.23 0.13 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -72.74 -37.47 67.72 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.461 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' A' ' 42' ' ' PHE . 3.2 tm? -59.67 -39.32 84.07 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.915 0.486 . . . . 0.0 109.899 172.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.5 m -62.15 -41.85 98.69 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.571 0.749 . . . . 0.0 111.623 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.74 -37.55 87.8 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.362 0.665 . . . . 0.0 111.201 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.61 -50.42 31.0 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.757 0.823 . . . . 0.0 112.613 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -62.5 -35.07 78.22 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.602 0.761 . . . . 0.0 112.064 -174.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.6 m -74.91 -29.68 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 C-N-CA 122.677 0.391 . . . . 0.0 111.724 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.6 p -97.42 12.74 32.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.989 0.516 . . . . 0.0 112.058 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 123.531 0.732 . . . . 0.0 110.645 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.4 mttt . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 121.592 0.71 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.4 t -88.52 104.56 16.94 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 165.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -47.87 -43.99 28.95 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.368 1.067 . . . . 0.0 113.632 -170.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.77 -45.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.191 0.996 . . . . 0.0 111.525 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.2 m -87.38 -32.22 19.69 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.125 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.2 p 66.23 16.02 10.29 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 126.802 2.041 . . . . 0.0 112.305 -169.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -114.98 -176.9 3.0 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.438 1.095 . . . . 0.0 110.748 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -148.22 164.2 34.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.657 0.783 . . . . 0.0 111.196 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -107.49 149.48 27.91 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.963 1.305 . . . . 0.0 109.818 173.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -53.93 -25.61 21.3 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.831 1.252 . . . . 0.0 113.272 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 m -110.22 136.06 50.01 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 171.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -36.09 82.93 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.201 0.6 . . . . 0.0 109.719 173.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -73.1 -28.03 62.04 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.255 1.022 . . . . 0.0 111.176 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.11 -35.6 64.3 Favored Glycine 0 C--N 1.344 1.007 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.9 -45.64 67.15 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.28 1.032 . . . . 0.0 110.456 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -59.92 -43.73 94.72 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.52 0.728 . . . . 0.0 111.896 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.58 -43.11 89.35 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.544 0.737 . . . . 0.0 109.925 173.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -64.8 -36.36 84.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.378 1.071 . . . . 0.0 111.559 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.64 -24.99 65.98 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.41 -22.31 63.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.654 1.182 . . . . 0.0 113.05 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 p -72.11 -17.1 62.01 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.5 0.72 . . . . 0.0 111.284 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 N--CA 1.48 1.074 0 C-N-CA 123.426 0.69 . . . . 0.0 111.793 -175.321 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.418 ' HD2' ' HG ' ' A' ' 48' ' ' LEU . 8.3 t80 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 49.8 ttm -98.48 140.48 32.66 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.644 1.178 . . . . 0.0 108.046 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.563 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 48.5 t -68.62 126.87 93.16 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.087 -0.482 . . . . 0.0 110.678 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.95 -37.28 94.34 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.863 2.375 . . . . 0.0 111.879 174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.6 mt -84.19 -54.09 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.281 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.732 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 13.9 p -129.83 12.12 5.72 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -174.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.563 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 60.29 22.96 59.36 Favored Glycine 0 N--CA 1.48 1.596 0 N-CA-C 117.368 1.707 . . . . 0.0 117.368 173.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.732 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 18.2 mm-40 -61.64 133.27 55.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 117.386 0.593 . . . . 0.0 110.69 168.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -89.27 125.83 35.26 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.582 0.753 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -132.06 146.61 62.41 Favored Pre-proline 0 N--CA 1.476 0.864 0 C-N-CA 123.976 0.91 . . . . 0.0 109.516 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -59.88 -19.88 56.97 Favored 'Trans proline' 0 C--N 1.381 2.278 0 C-N-CA 123.836 3.024 . . . . 0.0 115.07 -171.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 p -150.74 172.02 16.25 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.716 0.769 . . . . 0.0 111.799 -171.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.47 43.83 1.17 Allowed 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.099 -1.409 . . . . 0.0 108.005 175.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -141.72 -53.87 0.45 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.2 p -68.74 -33.48 73.99 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.453 -1.248 . . . . 0.0 111.912 174.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 35' ' ' CYS . 2.2 tm? -70.36 -38.79 74.84 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 172.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 m -62.62 -46.07 89.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.456 0.702 . . . . 0.0 111.316 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.41 -38.21 90.25 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.514 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -63.46 -43.73 96.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.113 0.965 . . . . 0.0 110.86 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 55' ' ' HIS . 36.0 ttpt -68.99 -35.26 76.5 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.127 -172.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -80.04 -35.63 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 122.819 0.448 . . . . 0.0 112.153 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 p -94.79 36.98 1.15 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.144 0.978 . . . . 0.0 110.707 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 52' ' ' LYS . 17.9 t-80 . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 123.105 0.562 . . . . 0.0 110.333 -162.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp . . . . . 0 C--O 1.238 0.47 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.408 ' HB2' HD23 ' A' ' 19' ' ' LEU . 40.9 t -70.19 96.47 1.09 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.79 -29.98 13.02 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.401 1.08 . . . . 0.0 112.036 173.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 t -68.5 -49.9 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.738 0.815 . . . . 0.0 110.927 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.2 m -91.51 -86.82 0.22 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.8 m 175.41 -51.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.48 1.512 . . . . 0.0 109.58 -172.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.574 ' HG3' ' H ' ' A' ' 12' ' ' THR . 21.8 tpp180 -85.73 -176.94 6.24 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.846 0.859 . . . . 0.0 111.309 -164.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.574 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 9.9 t -128.73 156.25 43.81 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 125.079 1.351 . . . . 0.0 109.242 -169.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.569 ' HD1' ' H ' ' A' ' 15' ' ' SER . 6.9 t80 -108.22 138.63 44.17 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -46.94 -36.58 7.81 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.019 1.328 . . . . 0.0 113.533 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.569 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 59.9 p -108.56 141.29 40.68 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.53 0.732 . . . . 0.0 109.955 175.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.11 -46.34 79.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.141 0.976 . . . . 0.0 110.608 171.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -56.22 -33.47 65.4 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.746 1.219 . . . . 0.0 111.602 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.45 -40.86 31.8 Favored Glycine 0 C--N 1.344 1.011 0 O-C-N 124.134 0.896 . . . . 0.0 112.154 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 6' ' ' CYS . 2.2 tm? -65.25 -44.41 88.24 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 117.479 0.639 . . . . 0.0 109.585 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -53.4 -46.65 69.78 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 124.273 0.983 . . . . 0.0 111.397 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.37 -38.33 90.66 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.253 1.021 . . . . 0.0 110.833 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -70.66 -34.89 72.52 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.775 1.23 . . . . 0.0 111.086 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tt -65.42 -34.28 77.92 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.964 1.305 . . . . 0.0 111.568 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -56.85 -24.68 53.11 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.901 0.88 . . . . 0.0 112.507 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.0 p -78.23 -25.98 47.18 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 123.783 0.833 . . . . 0.0 111.093 -172.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 123.179 0.592 . . . . 0.0 112.354 -171.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.826 0.346 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.8 ttt -113.06 141.16 47.2 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.999 0.919 . . . . 0.0 109.459 -172.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.02 134.59 92.93 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.891 0.877 . . . . 0.0 112.338 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.88 -47.4 8.73 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.71 2.274 . . . . 0.0 112.683 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.5 mt -78.15 -54.48 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -169.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.483 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 8.5 p -123.86 7.7 8.72 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.97 34.31 88.45 Favored Glycine 0 N--CA 1.483 1.771 0 N-CA-C 117.89 1.916 . . . . 0.0 117.89 164.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 18.2 mp0 -59.41 141.29 54.97 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.432 1.093 . . . . 0.0 111.143 165.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -90.72 127.99 36.51 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 124.024 0.929 . . . . 0.0 110.008 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -136.74 140.96 33.47 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 123.378 0.671 . . . . 0.0 109.227 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.37 -13.1 32.79 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.173 2.582 . . . . 0.0 113.974 -174.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.0 p -148.29 166.97 26.41 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.378 0.609 . . . . 0.0 111.385 -172.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.5 43.07 1.13 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -139.02 -54.85 0.59 Allowed 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.4 p -60.56 -38.09 83.42 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.113 169.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.88 -36.87 85.77 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.148 0.579 . . . . 0.0 109.879 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.0 m -64.35 -46.06 85.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.432 0.693 . . . . 0.0 111.291 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.38 -48.93 68.2 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 123.141 0.577 . . . . 0.0 111.711 172.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -60.92 -38.02 84.3 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.647 0.379 . . . . 0.0 111.407 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -71.47 -39.6 70.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.917 0.887 . . . . 0.0 111.292 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -82.33 -36.06 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.017 0.527 . . . . 0.0 111.563 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.8 p -82.42 13.1 3.83 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.119 0.567 . . . . 0.0 111.974 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 CA--C 1.559 1.301 0 C-N-CA 123.454 0.701 . . . . 0.0 111.43 -179.549 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.437 ' HZ2' ' HB2' ' A' ' 5' ' ' LYS . 4.3 ttmp? . . . . . 0 C--O 1.241 0.608 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.54 99.55 8.87 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -46.82 -43.24 18.29 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.136 1.374 . . . . 0.0 113.907 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.86 -48.84 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 123.447 0.699 . . . . 0.0 111.123 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.6 m -74.74 -36.21 62.64 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.249 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m 69.13 8.79 7.03 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.61 1.564 . . . . 0.0 111.93 -167.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -106.19 164.89 11.64 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.539 0.736 . . . . 0.0 111.188 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.4 p -115.88 162.04 17.91 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.216 1.006 . . . . 0.0 112.511 -166.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.424 ' HB3' HD22 ' A' ' 19' ' ' LEU . 40.3 p90 -78.61 -174.72 4.0 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -176.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -111.13 -61.18 1.73 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 170.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.5 p -107.2 158.77 16.84 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.791 0.836 . . . . 0.0 109.285 172.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.06 -41.47 95.08 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.227 0.611 . . . . 0.0 111.464 -172.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -75.12 -21.82 58.62 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.53 0.732 . . . . 0.0 110.203 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.91 -37.66 91.38 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.823 174.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.3 tm? -70.47 -42.08 71.92 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -62.39 -41.62 98.79 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.144 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.41 -45.16 73.37 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.751 0.82 . . . . 0.0 110.436 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -61.68 -31.14 71.25 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.688 0.795 . . . . 0.0 111.908 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.44 -25.28 68.2 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.3 0.64 . . . . 0.0 111.959 -172.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -63.57 -22.33 66.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.644 1.178 . . . . 0.0 112.92 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.3 p -69.34 -9.05 51.59 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.088 0.955 . . . . 0.0 112.085 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 . . . . . 0 N--CA 1.485 1.299 0 C-N-CA 123.595 0.758 . . . . 0.0 111.108 -177.138 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.6 ttp -130.53 116.42 18.14 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.432 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 40.7 t -55.5 132.74 70.94 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 123.528 0.731 . . . . 0.0 112.564 -174.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.03 -37.32 43.69 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 122.203 1.935 . . . . 0.0 112.471 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mt -85.68 -54.47 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.722 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 13.7 p -122.87 3.49 9.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.432 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 62.93 27.74 70.79 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 116.647 1.419 . . . . 0.0 116.647 170.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.722 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 41.0 mm-40 -65.58 146.77 54.43 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 122.914 0.486 . . . . 0.0 111.831 168.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -102.89 139.26 38.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.561 1.145 . . . . 0.0 109.371 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -130.35 156.28 79.72 Favored Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 123.223 0.609 . . . . 0.0 110.783 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -64.13 -14.37 43.22 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.084 2.523 . . . . 0.0 113.944 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.0 p -149.73 168.07 24.68 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.889 0.852 . . . . 0.0 111.452 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tt -92.27 49.65 1.54 Allowed 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 87.3 mt -147.52 -51.29 0.19 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -176.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.6 p -63.7 -36.91 85.41 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.607 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.03 -29.17 68.91 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 123.093 0.557 . . . . 0.0 110.586 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.9 m -68.94 -45.33 71.05 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.853 0.861 . . . . 0.0 110.812 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 46.3 mt-10 -58.63 -48.62 80.41 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.479 177.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -58.51 -40.1 81.91 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.482 1.113 . . . . 0.0 112.367 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -60.93 -46.62 89.94 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.971 0.794 . . . . 0.0 112.27 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 m -78.86 -40.32 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 122.804 0.442 . . . . 0.0 112.19 -173.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.3 p -94.21 37.96 1.1 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.247 1.019 . . . . 0.0 110.585 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--O 1.25 1.091 0 C-N-CA 123.376 0.67 . . . . 0.0 110.672 -165.203 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.449 ' HZ2' ' HB2' ' A' ' 5' ' ' LYS . 4.3 ttmp? . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.795 0.331 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.474 ' HB2' HD23 ' A' ' 19' ' ' LEU . 42.3 t -82.83 107.17 15.25 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 171.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -56.89 -38.71 73.16 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.578 0.751 . . . . 0.0 112.008 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.7 -56.98 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 C-N-CA 123.401 0.68 . . . . 0.0 111.322 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.91 -28.9 64.86 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.1 p 70.53 2.71 4.19 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 127.003 2.121 . . . . 0.0 111.846 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -101.26 165.12 11.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.311 1.044 . . . . 0.0 109.913 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -119.77 153.74 35.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.833 0.853 . . . . 0.0 109.931 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.483 ' HD2' ' H ' ' A' ' 15' ' ' SER . 23.6 t80 -87.33 162.16 17.53 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -64.1 -30.95 71.98 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.912 0.485 . . . . 0.0 110.654 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.483 ' H ' ' HD2' ' A' ' 13' ' ' PHE . 15.9 t -125.97 163.15 23.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.713 1.205 . . . . 0.0 109.112 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -88.66 -30.54 19.08 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -169.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -75.0 -42.37 57.67 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.38 -39.86 60.11 Favored Glycine 0 C--N 1.345 1.061 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.457 172.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 6' ' ' CYS . 2.6 tm? -65.65 -47.14 76.57 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 123.271 0.628 . . . . 0.0 110.851 174.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -55.2 -42.03 72.73 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.552 0.741 . . . . 0.0 112.213 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -67.99 -39.9 83.19 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.927 0.491 . . . . 0.0 110.328 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.91 -26.75 68.45 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.058 0.943 . . . . 0.0 111.448 174.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 tt -71.51 -27.9 63.53 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -78.47 -27.62 46.36 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 124.046 0.939 . . . . 0.0 111.283 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.1 p -65.46 -12.03 48.68 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 N--CA 1.483 1.179 0 C-N-CA 123.054 0.542 . . . . 0.0 111.026 178.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.515 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER . . . . . 0 CA--C 1.551 1.008 0 CA-C-O 120.94 0.4 . . . . 0.0 110.489 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.0 ttt -106.09 132.98 51.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 170.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.41 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 36.1 t -60.38 121.17 58.05 Favored Pre-proline 0 CA--C 1.551 0.992 0 O-C-N 123.536 0.523 . . . . 0.0 111.092 -176.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.98 -36.05 98.35 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.697 2.265 . . . . 0.0 113.59 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.8 mt -88.52 -53.31 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -172.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.718 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 6.6 p -116.87 -0.98 12.11 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 66.65 29.31 74.54 Favored Glycine 0 C--N 1.341 0.82 0 N-CA-C 116.859 1.504 . . . . 0.0 116.859 170.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.718 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 28.9 mm-40 -67.71 113.37 5.44 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 117.247 0.524 . . . . 0.0 110.11 165.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -83.14 126.98 33.2 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -116.77 153.86 49.32 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 123.933 0.893 . . . . 0.0 110.012 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.82 -13.57 40.44 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 123.071 2.514 . . . . 0.0 113.309 -175.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.3 p -153.04 169.09 23.78 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.535 0.683 . . . . 0.0 111.4 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.515 ' HG ' ' HB2' ' A' ' 33' ' ' TYR . 5.3 mp -88.78 42.12 1.06 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.753 1.221 . . . . 0.0 109.265 176.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.4 mt -138.21 -53.58 0.62 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -168.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 p -67.68 -34.85 77.73 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 112.981 -1.918 . . . . 0.0 111.357 172.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HG ' ' HB3' ' A' ' 33' ' ' TYR . 2.8 tm? -66.14 -35.42 80.44 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -67.9 -38.73 83.33 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.061 0.544 . . . . 0.0 110.924 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.1 -38.25 88.16 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.475 172.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -70.69 -51.51 27.16 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.095 0.958 . . . . 0.0 112.695 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.672 ' HZ3' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.52 -30.62 65.31 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -167.267 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.3 m -62.95 -20.62 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 124.018 0.927 . . . . 0.0 113.03 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -79.29 -2.67 42.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.951 0.501 . . . . 0.0 112.296 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--O 1.249 1.043 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.061 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--O 1.237 0.4 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.0 t -94.53 82.04 3.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.332 1.053 . . . . 0.0 108.415 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -57.42 -35.92 70.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.301 1.44 . . . . 0.0 114.741 -167.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.4 t -58.53 -45.61 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.164 0.586 . . . . 0.0 111.61 -171.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.0 p -92.82 -28.71 16.37 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.23 0.612 . . . . 0.0 111.014 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 m 99.43 3.05 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 128.051 2.541 . . . . 0.0 112.696 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -81.17 146.2 30.63 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.828 0.451 . . . . 0.0 110.545 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -98.66 170.53 8.73 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 123.546 0.738 . . . . 0.0 110.846 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -76.57 169.22 18.67 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.813 0.816 . . . . 0.0 112.247 175.65 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -112.86 -59.62 1.99 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -114.32 170.98 7.9 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 114.297 -1.32 . . . . 0.0 107.524 163.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.85 -34.96 77.72 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 117.683 0.22 . . . . 0.0 110.819 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -74.89 -28.55 60.68 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.171 0.589 . . . . 0.0 110.058 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.98 -36.44 88.18 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.949 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 2.7 tm? -60.87 -47.3 87.0 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.339 0.655 . . . . 0.0 109.94 172.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -63.82 -39.1 93.42 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 124.366 1.041 . . . . 0.0 111.465 -173.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.83 -47.94 64.76 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.45 0.7 . . . . 0.0 110.003 176.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -60.71 -29.08 69.13 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.98 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.19 -33.16 75.14 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.58 0.752 . . . . 0.0 110.921 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -73.97 -17.38 61.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.139 0.976 . . . . 0.0 111.594 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.1 p -68.87 -12.8 61.94 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.15 0.58 . . . . 0.0 111.624 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 123.908 0.883 . . . . 0.0 110.128 179.401 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.429 ' HH ' HD22 ' A' ' 45' ' ' LEU . 85.8 m-85 . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.615 0.721 . . . . 0.0 112.87 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 47.6 ttm -100.89 140.31 35.35 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.367 -1.288 . . . . 0.0 107.844 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.509 ' HA ' HD23 ' A' ' 48' ' ' LEU . 20.2 t -58.57 130.83 85.23 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.779 0.832 . . . . 0.0 111.917 -178.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.07 -40.36 34.27 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.525 2.15 . . . . 0.0 112.18 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mt -81.49 -53.63 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -168.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.426 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 22.7 p -127.39 8.78 6.55 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.38 36.08 92.91 Favored Glycine 0 N--CA 1.477 1.387 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 163.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.426 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 21.5 mp0 -69.68 122.48 19.22 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.038 0.935 . . . . 0.0 109.478 164.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -73.37 132.2 42.75 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.47 ' HD2' HD21 ' A' ' 48' ' ' LEU . 68.2 m-85 -127.7 152.2 76.53 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 124.079 0.952 . . . . 0.0 109.629 175.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -64.34 -28.6 63.33 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.569 2.179 . . . . 0.0 113.218 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -159.14 175.16 13.81 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 121.411 0.624 . . . . 0.0 111.964 -170.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.429 HD22 ' HH ' ' A' ' 33' ' ' TYR . 1.9 pp -82.27 45.24 0.93 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.115 1.366 . . . . 0.0 112.134 178.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -132.24 -55.47 0.97 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 -177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -69.27 -35.19 75.82 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.156 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 35' ' ' CYS . 3.2 tm? -66.33 -40.09 89.65 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -63.45 -45.0 92.9 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.512 0.725 . . . . 0.0 111.149 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -61.55 -43.32 99.08 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.887 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.68 -37.81 85.49 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.576 0.75 . . . . 0.0 111.183 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.55 -40.71 69.82 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.798 0.839 . . . . 0.0 112.422 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.2 m -77.14 -28.98 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 122.172 -0.33 . . . . 0.0 111.538 -176.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.9 p -98.84 14.4 29.03 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.279 0.632 . . . . 0.0 111.749 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 . . . . . 0 CA--C 1.556 1.179 0 C-N-CA 123.292 0.637 . . . . 0.0 111.002 179.414 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 33.9 t -73.34 22.37 0.07 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 116.161 1.911 . . . . 0.0 116.161 -158.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 52.35 -68.51 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 126.025 1.73 . . . . 0.0 115.128 153.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.47 -50.67 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.811 1.244 . . . . 0.0 109.376 173.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.518 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 96.4 m -68.26 -48.12 65.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.552 169.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.2 p 46.03 74.87 0.13 Allowed 'General case' 0 C--N 1.361 1.077 0 O-C-N 124.924 1.39 . . . . 0.0 110.406 -165.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.518 ' HG2' ' HB3' ' A' ' 9' ' ' CYS . 15.2 mmm180 -125.0 -71.87 0.69 Allowed 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -168.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -179.92 -170.43 0.15 Allowed 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.162 -161.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -164.89 147.09 8.17 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.702 1.601 . . . . 0.0 107.583 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -78.53 -42.59 29.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.1 p -161.66 -173.39 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 113.419 -1.719 . . . . 0.0 108.521 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 37.6 mm-40 -61.31 -47.84 84.13 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 171.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -68.9 -31.56 70.57 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.485 0.714 . . . . 0.0 110.019 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.05 -51.15 60.92 Favored Glycine 0 C--N 1.354 1.557 0 O-C-N 124.485 1.116 . . . . 0.0 111.85 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.441 HD21 ' N ' ' A' ' 6' ' ' CYS . 2.7 tm? -59.21 -50.36 74.34 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.219 1.008 . . . . 0.0 111.549 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 18.6 mtm180 -63.65 -41.58 98.2 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.255 -174.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -46.36 79.68 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.884 0.874 . . . . 0.0 109.755 174.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -70.64 -27.46 64.07 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.341 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -63.78 -23.34 67.32 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.541 0.737 . . . . 0.0 112.874 -172.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.29 -19.44 46.18 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.196 0.998 . . . . 0.0 113.008 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.0 p -76.02 -1.96 28.33 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.777 0.831 . . . . 0.0 111.847 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 . . . . . 0 N--CA 1.488 1.46 0 C-N-CA 123.844 0.857 . . . . 0.0 110.874 -177.793 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.616 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.242 0.685 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.3 ttm -93.79 119.42 32.73 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 166.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.411 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 9.3 t -64.0 127.12 91.42 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 123.378 0.671 . . . . 0.0 110.867 -168.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -52.11 -44.92 42.47 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.161 2.574 . . . . 0.0 114.784 -172.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.9 mt -84.53 -51.96 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 p -99.54 -37.64 9.09 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.411 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 73.9 28.52 64.62 Favored Glycine 0 C--N 1.349 1.289 0 N-CA-C 115.367 0.907 . . . . 0.0 115.367 173.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.19 164.09 24.98 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.442 0.697 . . . . 0.0 111.86 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -93.26 122.59 35.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.617 0.767 . . . . 0.0 109.901 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.443 ' HB3' ' HG1' ' A' ' 47' ' ' THR . 73.8 m-85 -112.57 140.81 24.27 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 123.628 0.771 . . . . 0.0 109.578 177.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -54.09 -32.76 70.93 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 123.424 2.749 . . . . 0.0 112.939 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 t -161.7 179.59 8.02 Favored 'General case' 0 C--O 1.247 0.939 0 C-N-CA 123.542 0.737 . . . . 0.0 109.994 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 33' ' ' TYR . 2.1 tt -92.54 59.33 3.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.67 0.788 . . . . 0.0 108.904 -174.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mp -139.25 -48.27 0.48 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.443 ' HG1' ' HB3' ' A' ' 42' ' ' PHE . 33.1 p -62.95 -28.68 70.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.577 175.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.472 ' HG ' ' HB3' ' A' ' 33' ' ' TYR . 3.2 tm? -60.56 -44.66 95.92 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 171.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 m -65.49 -41.73 92.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.638 0.775 . . . . 0.0 110.914 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.88 -42.96 94.37 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.184 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -70.68 -47.92 57.42 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.512 1.125 . . . . 0.0 113.537 -174.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.524 ' HZ3' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -52.17 -33.75 41.98 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 124.465 1.106 . . . . 0.0 113.711 -167.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.2 m -60.51 -25.28 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 123.941 0.896 . . . . 0.0 112.447 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.8 p -83.63 0.96 44.6 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 . . . . . 0 CA--C 1.554 1.097 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.211 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HZ2' ' HB2' ' A' ' 5' ' ' LYS . 4.4 ttmp? . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.2 t -70.26 91.07 0.71 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 171.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -54.81 -32.07 59.93 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.794 1.238 . . . . 0.0 112.416 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.2 t -56.62 -44.12 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 124.143 0.977 . . . . 0.0 110.583 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.2 m -88.35 -22.82 23.61 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.581 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m 75.98 7.9 3.6 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.648 1.979 . . . . 0.0 112.098 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -115.59 174.19 6.14 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.395 0.678 . . . . 0.0 110.529 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -121.9 156.02 34.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.763 0.825 . . . . 0.0 110.125 -172.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -107.57 136.79 46.74 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 165.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -73.39 0.15 13.04 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.5 m -132.38 136.28 46.71 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.052 0.941 . . . . 0.0 109.794 173.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.36 -55.68 30.71 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.468 1.107 . . . . 0.0 112.393 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.04 -19.32 63.3 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.545 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.2 -36.85 49.92 Favored Glycine 0 C--N 1.343 0.921 0 O-C-N 123.894 0.746 . . . . 0.0 111.733 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.98 -46.81 82.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.058 0.943 . . . . 0.0 110.296 171.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -62.58 -32.45 73.44 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.807 0.843 . . . . 0.0 111.473 176.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.19 -32.82 59.19 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.501 0.72 . . . . 0.0 110.585 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.455 ' O ' HG22 ' A' ' 25' ' ' THR . 36.1 t60 -67.27 -36.73 82.19 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.891 0.876 . . . . 0.0 109.651 172.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -23.21 66.25 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.816 1.246 . . . . 0.0 111.171 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -63.91 -15.51 59.26 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.601 0.76 . . . . 0.0 112.925 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 22' ' ' HIS . 4.9 t -81.77 -20.15 39.82 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.804 0.442 . . . . 0.0 110.981 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 . . . . . 0 N--CA 1.483 1.214 0 C-N-CA 124.627 1.171 . . . . 0.0 110.609 177.766 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 . . . . . 0 N--CA 1.475 0.798 0 CA-C-O 121.307 0.575 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.1 ttm -110.1 143.3 40.35 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.387 1.475 . . . . 0.0 107.37 171.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.63 143.44 96.49 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 122.651 0.38 . . . . 0.0 111.777 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.87 -48.6 0.47 Allowed 'Trans proline' 0 CA--C 1.556 1.581 0 C-N-CA 122.021 1.814 . . . . 0.0 113.128 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -78.84 -51.97 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -167.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.5 p -109.77 -39.83 4.99 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.488 0.585 . . . . 0.0 111.436 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.34 39.76 4.4 Favored Glycine 0 C--N 1.348 1.205 0 N-CA-C 116.725 1.45 . . . . 0.0 116.725 156.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.26 160.25 29.02 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 117.631 0.716 . . . . 0.0 110.617 167.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -86.59 146.38 26.37 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.81 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -123.43 145.44 46.78 Favored Pre-proline 0 N--CA 1.483 1.215 0 C-N-CA 123.355 0.662 . . . . 0.0 111.288 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -73.39 -18.65 22.9 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.314 2.676 . . . . 0.0 112.996 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 p -158.94 164.38 35.67 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.453 0.701 . . . . 0.0 111.184 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -84.6 79.15 9.69 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 57.2 tp -160.92 -55.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -65.77 -31.67 72.78 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.973 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.1 -44.09 91.93 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.352 0.661 . . . . 0.0 110.33 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.8 m -67.92 -41.79 82.07 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.621 0.768 . . . . 0.0 111.249 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 7.9 mm-40 -62.56 -40.33 96.48 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.718 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -71.15 -37.42 72.26 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.895 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -57.04 -51.68 68.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.216 1.006 . . . . 0.0 111.35 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.94 -26.5 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.757 -174.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.7 p -86.84 5.45 36.67 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 118.894 -0.574 . . . . 0.0 111.386 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--O 1.244 0.778 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.9 t -78.2 94.52 4.77 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -49.18 -40.27 32.51 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.811 1.244 . . . . 0.0 113.698 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.92 -44.85 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 C-N-CA 124.05 0.94 . . . . 0.0 110.874 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.4 m -79.88 -30.02 40.08 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.764 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 m 72.96 9.74 5.4 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.561 1.945 . . . . 0.0 112.836 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -113.58 168.24 9.93 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -101.57 162.5 12.86 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.475 -163.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -175.04 3.79 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.369 174.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -133.77 -55.0 0.88 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.9 p -105.43 146.06 30.0 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 124.556 1.142 . . . . 0.0 108.344 168.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.95 -39.13 87.2 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.883 0.473 . . . . 0.0 110.797 -175.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -73.59 -21.76 60.24 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.034 0.534 . . . . 0.0 110.162 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.95 97.65 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.885 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.59 -42.26 98.61 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.12 0.568 . . . . 0.0 110.247 174.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -58.76 -49.66 76.81 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 124.162 0.914 . . . . 0.0 111.475 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.34 -38.34 89.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.453 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -66.52 -36.1 81.87 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.21 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -63.98 -18.24 64.09 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.989 0.516 . . . . 0.0 111.521 -173.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -71.31 -13.24 61.82 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.623 1.169 . . . . 0.0 112.581 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.4 p -73.83 -11.61 60.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.984 0.514 . . . . 0.0 110.972 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 . . . . . 0 N--CA 1.483 1.197 0 C-N-CA 124.362 1.065 . . . . 0.0 108.666 179.1 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.417 ' HE1' ' HE ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 121.222 0.535 . . . . 0.0 109.772 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 51.4 ttm -110.05 129.82 55.63 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.2 t -74.49 121.99 86.5 Favored Pre-proline 0 CA--C 1.56 1.332 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.964 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -46.06 -41.19 21.25 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 124.381 3.388 . . . . 0.0 116.291 -174.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.1 mt -91.98 -53.91 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.535 ' SG ' ' HG3' ' A' ' 40' ' ' GLU . 6.5 p -104.63 -19.62 13.91 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -167.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 18.13 79.03 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 116.055 1.182 . . . . 0.0 116.055 173.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.535 ' HG3' ' SG ' ' A' ' 38' ' ' CYS . 51.3 mt-10 -67.16 127.87 34.23 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 117.284 0.542 . . . . 0.0 111.139 173.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.417 ' HE ' ' HE1' ' A' ' 33' ' ' TYR . 2.1 tmt_? -87.18 135.44 33.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.655 1.182 . . . . 0.0 109.938 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -121.69 160.21 47.51 Favored Pre-proline 0 N--CA 1.483 1.182 0 C-N-CA 124.54 1.136 . . . . 0.0 109.836 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -56.8 -26.08 64.59 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 123.26 2.64 . . . . 0.0 113.564 -175.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.6 m -146.13 162.52 37.78 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.23 0.612 . . . . 0.0 110.105 -177.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 tp -88.85 54.43 3.01 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 122.649 1.214 . . . . 0.0 108.056 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 45.3 tp -150.45 -53.39 0.15 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -61.76 -33.97 75.02 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.62 168.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.33 -43.18 99.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.204 1.002 . . . . 0.0 109.937 172.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 m -65.62 -45.28 83.7 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.974 0.91 . . . . 0.0 111.187 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 13.3 mm-40 -55.22 -46.11 75.93 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.301 1.04 . . . . 0.0 110.845 175.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -66.9 -40.24 87.66 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 123.772 0.67 . . . . 0.0 110.932 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.78 -46.14 86.55 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.066 0.946 . . . . 0.0 110.781 -169.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.36 -31.88 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 122.848 0.459 . . . . 0.0 111.609 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -87.64 21.36 2.6 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.696 172.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt . . . . . 0 C--O 1.241 0.617 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -89.04 104.8 17.32 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 165.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -51.56 -44.84 62.83 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.575 1.15 . . . . 0.0 112.547 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.89 -44.75 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.997 -173.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.1 m -81.52 -31.62 32.71 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.516 0.726 . . . . 0.0 111.588 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 m 77.46 8.59 2.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.137 1.775 . . . . 0.0 110.923 -171.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -117.15 -158.83 0.71 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.771 1.228 . . . . 0.0 109.474 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -164.24 177.44 8.32 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.127 0.489 . . . . 0.0 112.189 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -97.78 146.64 25.2 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 164.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -79.35 18.03 0.75 Allowed 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 118.823 0.738 . . . . 0.0 112.185 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -147.22 147.69 30.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.236 1.415 . . . . 0.0 108.173 169.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 2.5 mp0 -68.84 -48.2 64.11 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.813 0.845 . . . . 0.0 112.364 -168.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.65 -27.95 65.47 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.911 0.484 . . . . 0.0 110.213 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.1 -36.53 56.54 Favored Glycine 0 C--N 1.348 1.24 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.283 176.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.71 -41.29 96.09 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.799 0.84 . . . . 0.0 110.642 173.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 31.7 mmm180 -58.76 -37.09 75.48 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.871 0.732 . . . . 0.0 111.505 173.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.61 -38.85 74.0 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.564 0.746 . . . . 0.0 110.633 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -63.49 -37.81 88.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.336 1.054 . . . . 0.0 110.824 177.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.37 -28.8 63.5 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.871 1.268 . . . . 0.0 112.102 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.7 -20.34 66.26 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.775 0.83 . . . . 0.0 113.054 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.6 p -71.41 -25.85 62.51 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.945 0.498 . . . . 0.0 111.017 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 123.529 0.732 . . . . 0.0 111.124 -178.694 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.426 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.238 0.479 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.1 ttp -125.41 127.44 46.55 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.089 -171.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.536 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 34.6 t -83.31 126.46 71.77 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-O 118.988 -0.529 . . . . 0.0 110.312 173.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -47.14 -52.8 7.24 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 123.033 2.489 . . . . 0.0 114.024 167.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.4 mt -72.08 -55.91 11.83 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.13 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -172.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -44.45 4.01 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 118.313 0.506 . . . . 0.0 111.647 -173.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.536 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 91.65 31.35 9.51 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 115.078 0.791 . . . . 0.0 115.078 166.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -78.71 164.62 24.43 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.646 0.778 . . . . 0.0 111.665 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -115.09 138.42 50.91 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.141 0.976 . . . . 0.0 109.297 -175.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -124.37 161.69 46.37 Favored Pre-proline 0 N--CA 1.479 0.975 0 C-N-CA 124.035 0.934 . . . . 0.0 109.784 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -47.12 -27.66 6.61 Favored 'Trans proline' 0 C--N 1.391 2.811 0 C-N-CA 123.973 3.115 . . . . 0.0 114.748 -176.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -156.31 179.59 9.09 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.498 0.666 . . . . 0.0 111.033 175.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 33' ' ' TYR . 28.6 tp -87.15 36.48 0.73 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.854 1.262 . . . . 0.0 110.06 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 3.4 mm? -130.42 -52.53 1.09 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -174.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.1 p -64.28 -29.97 71.04 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.328 170.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.0 -34.5 78.24 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.602 0.761 . . . . 0.0 110.457 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 m -72.09 -36.57 69.54 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.716 0.806 . . . . 0.0 110.879 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 20.5 mm-40 -60.28 -34.93 74.44 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.321 172.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -71.46 -34.11 69.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.184 0.593 . . . . 0.0 111.826 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.52 -39.05 86.38 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.404 0.682 . . . . 0.0 111.607 -173.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.12 -29.66 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.4 p -81.25 21.93 0.71 Allowed 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m80 . . . . . 0 C--O 1.251 1.144 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 165.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.1 tttt . . . . . 0 CA--C 1.513 -0.46 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.7 t -81.42 89.07 6.1 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.601 0.36 . . . . 0.0 110.354 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -55.27 -31.81 61.86 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -54.36 -56.29 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 123.988 0.915 . . . . 0.0 111.798 -173.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.53 -26.87 14.28 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.253 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 m 91.54 17.76 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 126.896 2.078 . . . . 0.0 112.33 172.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.0 mmt-85 -102.35 174.27 5.99 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.556 0.743 . . . . 0.0 111.558 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -137.69 165.91 25.23 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.725 0.774 . . . . 0.0 112.737 -171.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -79.03 -174.72 4.2 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.494 1.518 . . . . 0.0 113.454 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -120.52 -53.45 2.11 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 175.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -118.19 163.37 16.75 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.884 1.274 . . . . 0.0 109.223 170.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.73 -43.18 80.39 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -168.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -70.41 -18.25 63.02 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.152 0.581 . . . . 0.0 111.067 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.1 -45.69 95.54 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.441 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -43.04 91.38 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 30.1 mmm180 -58.25 -53.61 56.29 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 124.526 1.141 . . . . 0.0 111.396 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -56.35 -48.92 75.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.409 1.084 . . . . 0.0 110.835 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -59.89 -33.77 72.28 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.961 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 tp -74.16 -32.44 63.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 111.508 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 20' ' ' ARG . 94.7 mt-30 -78.81 -38.29 38.61 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.252 0.621 . . . . 0.0 110.152 -178.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.9 p -79.4 -3.49 46.63 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.952 0.901 . . . . 0.0 111.875 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 121.018 0.437 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 35.9 ttm -97.5 144.96 26.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.184 1.394 . . . . 0.0 108.295 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.608 ' HA ' HD23 ' A' ' 48' ' ' LEU . 31.7 t -66.22 138.58 96.07 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -65.62 -50.4 1.84 Allowed 'Trans proline' 0 C--N 1.372 1.809 0 C-N-CA 122.651 2.234 . . . . 0.0 112.96 172.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.2 mt -78.01 -54.96 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -164.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.9 p -107.14 -40.61 5.38 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 118.046 0.385 . . . . 0.0 110.909 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 35' ' ' CYS . . . 99.32 39.74 3.41 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 116.922 1.529 . . . . 0.0 116.922 156.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.8 152.76 22.77 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 117.518 0.659 . . . . 0.0 110.469 166.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -88.05 139.7 30.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.904 0.881 . . . . 0.0 111.337 -172.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -123.17 151.71 62.48 Favored Pre-proline 0 N--CA 1.474 0.775 0 C-N-CA 123.876 0.87 . . . . 0.0 109.445 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.12 -41.22 76.62 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 123.067 2.512 . . . . 0.0 113.103 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.9 m -153.44 175.08 13.56 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.019 0.528 . . . . 0.0 110.339 -169.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.4 tp -85.68 56.98 4.21 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.008 0.923 . . . . 0.0 110.541 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -136.86 -56.07 0.73 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.4 p -68.99 -33.98 74.55 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.108 0.963 . . . . 0.0 111.206 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' ' 35' ' ' CYS . 2.8 tm? -62.8 -44.33 96.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.155 0.582 . . . . 0.0 110.423 174.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.9 m -65.91 -41.82 90.97 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.462 0.705 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.63 -46.51 84.04 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.519 0.728 . . . . 0.0 110.384 175.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -66.67 -41.14 88.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.796 0.839 . . . . 0.0 111.974 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.47 -43.17 99.47 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.083 0.953 . . . . 0.0 112.209 -172.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.422 HG23 HG21 ' A' ' 54' ' ' THR . 29.8 m -77.98 -32.31 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 122.892 0.477 . . . . 0.0 111.921 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.422 HG21 HG23 ' A' ' 53' ' ' VAL . 70.5 p -94.5 35.35 1.22 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.955 0.902 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 . . . . . 0 CA--C 1.558 1.253 0 C-N-CA 122.797 0.439 . . . . 0.0 110.499 -165.62 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.7 t -83.82 109.78 17.82 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 167.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -35.09 79.53 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.399 0.68 . . . . 0.0 110.779 -177.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.56 -43.75 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.804 0.842 . . . . 0.0 111.562 -177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.2 m -87.23 -31.27 20.38 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.65 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m 77.65 10.7 2.22 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 126.693 1.997 . . . . 0.0 111.157 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -110.73 -174.57 2.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.052 0.941 . . . . 0.0 110.37 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 t -140.81 170.41 15.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.586 0.755 . . . . 0.0 110.105 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.419 ' HD1' ' H ' ' A' ' 15' ' ' SER . 5.5 t80 -113.74 150.85 32.77 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.969 0.908 . . . . 0.0 109.126 175.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.58 -35.58 74.57 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.007 0.923 . . . . 0.0 111.677 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.419 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 36.1 p -105.81 137.24 44.01 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 172.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.99 -28.03 60.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.41 0.284 . . . . 0.0 110.51 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -75.55 -35.47 60.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.237 0.615 . . . . 0.0 109.435 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.54 -32.33 83.86 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.051 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.01 -43.9 90.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.995 0.918 . . . . 0.0 110.313 172.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HD2' HD13 ' A' ' 23' ' ' LEU . 22.3 mmm180 -61.84 -34.79 76.6 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.881 0.872 . . . . 0.0 112.352 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -72.18 -38.69 69.05 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.614 0.721 . . . . 0.0 109.971 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -67.05 -30.32 70.36 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.761 1.224 . . . . 0.0 110.595 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD13 ' HD2' ' A' ' 20' ' ' ARG . 16.3 mt -61.35 -27.3 68.41 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.984 0.914 . . . . 0.0 112.415 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -77.94 -13.91 59.72 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.214 1.006 . . . . 0.0 111.583 -173.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.0 p -76.26 -4.24 40.9 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 123.378 0.671 . . . . 0.0 111.274 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 . . . . . 0 N--CA 1.484 1.272 0 C-N-CA 123.5 0.72 . . . . 0.0 111.166 177.465 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--O 1.238 0.475 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.6 ttp -93.08 113.57 25.87 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 19.6 t -59.8 127.47 85.32 Favored Pre-proline 0 CA--C 1.55 0.976 0 O-C-N 123.629 0.581 . . . . 0.0 111.558 -173.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -47.96 -48.36 16.5 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.65 2.9 . . . . 0.0 114.607 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.5 mt -84.7 -54.99 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.435 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 12.2 p -109.32 -7.16 15.28 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -166.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.417 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 61.51 25.09 64.71 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 116.332 1.293 . . . . 0.0 116.332 173.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.435 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 15.0 mm-40 -68.88 149.73 48.57 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.696 0.799 . . . . 0.0 111.368 169.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -93.4 124.62 37.51 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.917 0.887 . . . . 0.0 109.557 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -123.28 139.9 32.71 Favored Pre-proline 0 N--CA 1.481 1.11 0 C-N-CA 123.219 0.608 . . . . 0.0 109.793 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -67.1 -4.02 10.81 Favored 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 123.957 3.104 . . . . 0.0 114.168 -171.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 p -153.44 164.48 38.11 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.9 0.857 . . . . 0.0 111.108 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.79 42.75 1.1 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.035 -1.438 . . . . 0.0 109.445 170.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -145.03 -51.29 0.27 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 -170.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.9 p -62.34 -38.87 91.17 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.722 167.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.7 -37.36 86.23 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 123.689 0.618 . . . . 0.0 109.952 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.7 m -64.29 -41.25 96.97 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.403 0.681 . . . . 0.0 110.907 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' HG21 ' A' ' 54' ' ' THR . 41.2 mt-10 -64.75 -42.93 94.78 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.873 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -65.41 -44.56 87.06 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.433 1.093 . . . . 0.0 112.572 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -66.21 -33.89 76.77 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.39 0.676 . . . . 0.0 112.398 -171.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.82 -30.45 21.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 122.595 0.358 . . . . 0.0 111.816 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.404 HG21 ' O ' ' A' ' 50' ' ' GLU . 15.2 t -102.72 34.54 2.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.105 0.962 . . . . 0.0 110.555 -178.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 . . . . . 0 CA--C 1.557 1.24 0 C-N-CA 123.126 0.57 . . . . 0.0 111.135 -162.887 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 t -87.33 86.69 7.28 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 170.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -11.22 -64.91 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 127.391 2.276 . . . . 0.0 115.982 -177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.1 t -64.37 -54.21 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.081 0.953 . . . . 0.0 111.312 -175.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.4 m -58.3 -43.1 87.92 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.792 0.837 . . . . 0.0 111.803 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 m 67.71 15.41 9.68 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.367 1.467 . . . . 0.0 111.232 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -117.09 176.75 4.99 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.936 1.295 . . . . 0.0 108.894 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -133.17 154.25 50.8 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.967 0.907 . . . . 0.0 110.447 -172.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -100.83 149.26 24.03 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.707 1.203 . . . . 0.0 109.216 172.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -53.57 -24.77 14.64 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.834 0.854 . . . . 0.0 112.657 174.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.1 t -109.58 135.74 50.08 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 166.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -79.47 -29.95 41.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.207 0.603 . . . . 0.0 110.276 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.87 -36.73 75.71 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.02 -29.92 62.02 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.258 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.12 -50.37 61.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.161 0.984 . . . . 0.0 110.618 172.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -58.73 -42.52 88.94 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.721 0.809 . . . . 0.0 111.701 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HA ' HE21 ' A' ' 24' ' ' GLN . 43.1 tt0 -60.19 -42.62 95.44 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.614 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -67.29 -38.34 84.88 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.515 1.126 . . . . 0.0 111.597 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.05 -35.32 76.6 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.971 0.908 . . . . 0.0 111.082 -171.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 21' ' ' GLU . 39.8 mt-30 -69.22 -18.75 63.93 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.627 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 p -73.64 -8.67 56.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.061 0.545 . . . . 0.0 112.018 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 121.148 0.499 . . . . 0.0 110.419 177.804 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.941 0.4 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.2 ttt -94.54 141.18 28.89 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.498 ' HA ' HD23 ' A' ' 48' ' ' LEU . 33.9 t -66.92 139.4 95.6 Favored Pre-proline 0 CA--C 1.552 1.031 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.55 -43.2 2.11 Favored 'Trans proline' 0 C--N 1.37 1.658 0 C-N-CA 122.099 1.866 . . . . 0.0 112.906 173.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 mt -78.39 -53.34 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -166.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.5 p -111.17 -39.62 4.69 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 118.148 0.431 . . . . 0.0 111.435 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.64 40.72 3.8 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 116.21 1.244 . . . . 0.0 116.21 158.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.54 160.13 17.6 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 117.479 0.639 . . . . 0.0 110.071 164.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -81.22 143.87 32.0 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.116 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB3' ' HG1' ' A' ' 47' ' ' THR . 81.3 m-85 -130.75 148.4 70.0 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.24 1.016 . . . . 0.0 110.134 172.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.26 -22.25 53.63 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.941 2.428 . . . . 0.0 113.226 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.5 p -162.44 168.26 22.31 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -172.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -86.78 57.27 4.41 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 122.704 1.24 . . . . 0.0 108.992 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 6.2 mp -146.26 -51.05 0.22 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 105.52 -2.029 . . . . 0.0 105.52 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.584 ' HG1' ' HB3' ' A' ' 42' ' ' PHE . 82.0 p -72.57 -38.69 67.84 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.062 173.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 35' ' ' CYS . 3.2 tm? -61.53 -34.67 75.94 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.54 0.736 . . . . 0.0 110.207 170.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.5 m -63.98 -46.96 82.29 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.909 0.884 . . . . 0.0 111.346 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 45.4 mt-10 -64.12 -34.54 78.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.352 0.661 . . . . 0.0 110.59 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.27 -46.38 80.7 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.391 1.076 . . . . 0.0 111.142 173.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.79 -44.92 95.92 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.973 1.309 . . . . 0.0 113.527 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.51 -21.64 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -169.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.1 p -120.7 -57.54 1.89 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.227 0.611 . . . . 0.0 110.428 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 CA--C 1.559 1.315 0 C-N-CA 126.056 1.742 . . . . 0.0 112.255 178.245 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.32 -139.36 5.97 Favored Glycine 0 C--N 1.347 1.193 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -153.18 102.67 2.65 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.587 0.755 . . . . 0.0 109.427 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.449 ' HD2' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -59.54 96.8 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.155 170.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 10' ' ' SER . 38.6 ttpt -123.24 151.99 41.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.427 0.691 . . . . 0.0 110.166 -167.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.1 t -60.71 -39.98 90.55 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -172.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.14 -49.63 0.54 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 126.144 1.778 . . . . 0.0 110.795 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -59.75 -53.48 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.8 0.84 . . . . 0.0 109.674 174.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.1 -50.31 9.79 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 171.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.406 ' O ' ' HD2' ' A' ' 5' ' ' LYS . 34.5 t 70.3 -0.97 2.64 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.215 1.406 . . . . 0.0 112.356 -174.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -116.13 5.18 13.73 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -172.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -151.15 141.8 22.69 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -170.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.475 ' HB3' HD21 ' A' ' 19' ' ' LEU . 14.5 p90 -169.26 144.48 3.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 128.146 2.578 . . . . 0.0 107.275 162.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -82.43 -32.24 29.1 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 p -172.06 -171.09 0.82 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.697 1.599 . . . . 0.0 107.755 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.6 -42.67 82.07 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.924 0.784 . . . . 0.0 108.891 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -69.95 -36.73 75.5 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.705 0.802 . . . . 0.0 109.475 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.32 -46.17 93.28 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 113.944 -1.48 . . . . 0.0 112.204 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 13' ' ' PHE . 1.3 tm? -65.61 -39.76 91.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.796 0.838 . . . . 0.0 112.343 176.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -56.41 -50.54 71.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.425 0.69 . . . . 0.0 110.816 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.58 -44.05 96.65 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.731 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -68.67 -26.78 65.48 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.089 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.33 -34.34 76.46 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 122.104 -0.373 . . . . 0.0 111.06 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -75.58 -15.01 60.41 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.93 0.892 . . . . 0.0 112.768 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 p -64.22 -15.84 60.81 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.212 0.605 . . . . 0.0 111.905 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -98.36 -11.46 22.47 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.177 0.591 . . . . 0.0 111.192 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 -65.01 -43.64 91.83 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 162.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.05 172.88 30.16 Favored Glycine 0 C--N 1.344 1.01 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.685 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.65 122.52 8.95 Favored 'Trans proline' 0 C--N 1.368 1.589 0 C-N-CA 122.442 2.095 . . . . 0.0 110.801 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.21 81.86 1.0 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.677 0.751 . . . . 0.0 112.812 -174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -114.57 53.65 0.8 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 169.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -171.67 168.16 6.32 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.666 -173.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -142.26 148.14 37.6 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 43.8 ttm -103.86 137.64 41.58 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.531 ' HA ' HD12 ' A' ' 48' ' ' LEU . 42.1 t -65.97 138.07 96.17 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 123.277 0.631 . . . . 0.0 112.55 -171.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -62.85 -45.53 13.07 Favored 'Trans proline' 0 C--N 1.372 1.778 0 C-N-CA 122.519 2.146 . . . . 0.0 112.07 172.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.68 -54.37 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -170.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 p -118.36 0.04 11.58 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.521 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 68.14 16.13 68.41 Favored Glycine 0 N--CA 1.477 1.397 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -65.07 143.75 57.71 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 117.344 0.572 . . . . 0.0 110.67 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.471 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -111.47 131.77 54.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.616 0.766 . . . . 0.0 109.814 -170.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -130.04 152.66 80.4 Favored Pre-proline 0 N--CA 1.474 0.725 0 C-N-CA 123.924 0.89 . . . . 0.0 109.631 -176.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.72 3.93 2.03 Favored 'Trans proline' 0 C--N 1.38 2.197 0 C-N-CA 123.372 2.715 . . . . 0.0 115.603 -170.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.0 p -161.71 169.37 21.62 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.548 0.689 . . . . 0.0 111.715 173.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -88.41 62.92 6.85 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 167.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -162.18 -55.22 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.6 p -62.65 -40.36 96.79 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.573 168.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 35' ' ' CYS . 2.0 tm? -63.32 -39.06 93.51 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.588 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 m -66.79 -40.58 88.17 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.417 0.687 . . . . 0.0 111.338 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.6 -44.51 93.8 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.605 0.762 . . . . 0.0 110.795 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -59.8 -39.57 85.4 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.777 0.831 . . . . 0.0 111.251 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -62.61 -50.68 70.28 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.189 0.996 . . . . 0.0 110.503 -174.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.41 -40.36 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -172.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.8 p -90.71 13.8 15.15 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.15 0.58 . . . . 0.0 111.615 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER . . . . . 0 CA--C 1.564 1.486 0 C-N-CA 125.918 1.687 . . . . 0.0 113.905 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.35 89.18 0.55 Allowed Glycine 0 C--N 1.342 0.889 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 m -158.55 106.43 1.9 Allowed 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -98.75 161.81 13.45 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -103.68 128.48 51.01 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.223 0.609 . . . . 0.0 110.119 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.2 t -75.07 117.57 17.06 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.63 -29.09 66.5 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 122.785 0.434 . . . . 0.0 111.514 -172.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.77 -49.48 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.32 0.648 . . . . 0.0 110.891 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.0 m -87.18 -26.88 23.34 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.04 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m 73.77 16.61 3.76 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.775 1.63 . . . . 0.0 111.559 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -110.55 177.95 4.53 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.178 0.991 . . . . 0.0 110.14 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -130.06 152.69 49.23 Favored 'General case' 0 C--O 1.243 0.734 0 C-N-CA 123.551 0.74 . . . . 0.0 109.963 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' HD1' ' H ' ' A' ' 15' ' ' SER . 13.6 t80 -110.14 142.12 42.09 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 171.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -65.62 -6.94 12.61 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.525 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 78.0 p -129.66 147.18 51.43 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 123.885 0.874 . . . . 0.0 109.826 170.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -55.43 -53.64 53.75 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.908 0.483 . . . . 0.0 109.855 168.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -61.06 -29.65 69.86 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.778 0.831 . . . . 0.0 111.789 -174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.38 -43.85 23.74 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.38 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.16 -48.83 74.47 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.078 0.551 . . . . 0.0 110.726 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -55.96 -35.3 66.55 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.97 0.908 . . . . 0.0 111.951 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -69.08 -40.8 78.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.051 0.94 . . . . 0.0 110.71 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -67.06 -41.58 86.2 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.793 1.237 . . . . 0.0 111.786 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.29 -31.46 69.14 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.382 1.473 . . . . 0.0 111.106 -176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -60.15 -18.43 47.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.558 1.143 . . . . 0.0 113.631 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -79.7 -26.47 40.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.448 0.699 . . . . 0.0 110.401 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -80.15 -9.34 59.71 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.624 0.77 . . . . 0.0 110.227 175.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -98.13 11.34 38.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.846 0.858 . . . . 0.0 109.71 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.73 -161.92 51.6 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.182 -176.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -70.9 129.11 15.88 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.119 1.88 . . . . 0.0 110.299 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.88 56.91 4.18 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.722 0.772 . . . . 0.0 110.99 -175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HE3' ' HG2' ' A' ' 41' ' ' ARG . 24.8 pttm -160.09 168.91 24.47 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.192 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -142.15 42.33 1.66 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -140.43 84.67 1.97 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 123.087 1.422 . . . . 0.0 107.977 176.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 55.9 ttp -131.18 122.04 25.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 113.632 -1.622 . . . . 0.0 106.743 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 42.7 t -75.16 122.72 87.98 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-O 119.227 -0.416 . . . . 0.0 109.912 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.48 -36.92 98.04 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.937 2.425 . . . . 0.0 113.965 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.5 mt -83.87 -55.8 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.44 ' SG ' ' HG3' ' A' ' 40' ' ' GLU . 10.2 p -120.18 -0.01 10.58 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -168.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.477 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 61.89 24.51 64.76 Favored Glycine 0 N--CA 1.475 1.269 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 169.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG3' ' SG ' ' A' ' 38' ' ' CYS . 39.8 mt-10 -65.01 135.23 55.38 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 120.872 0.368 . . . . 0.0 111.983 171.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.424 ' HG2' ' HE3' ' A' ' 31' ' ' LYS . 33.8 mtp180 -95.16 137.57 34.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.726 1.21 . . . . 0.0 109.902 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 89.1 m-85 -124.44 157.78 63.84 Favored Pre-proline 0 N--CA 1.48 1.043 0 C-N-CA 123.457 0.703 . . . . 0.0 111.283 -175.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -63.63 -14.52 43.18 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.565 2.177 . . . . 0.0 112.96 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 p -152.05 172.66 15.95 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 123.604 0.762 . . . . 0.0 111.215 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 tp -95.57 54.33 1.56 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 166.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -137.25 -54.77 0.7 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 42' ' ' PHE . 1.2 p -61.0 -36.06 78.49 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.699 171.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.73 -37.48 84.75 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.304 0.642 . . . . 0.0 110.684 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 m -66.52 -47.07 74.11 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.502 0.721 . . . . 0.0 110.564 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -59.72 -47.9 83.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.027 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -63.27 -36.7 84.52 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.044 0.938 . . . . 0.0 111.979 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -61.41 -49.96 74.78 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.008 0.923 . . . . 0.0 110.318 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.513 HG23 HG23 ' A' ' 54' ' ' THR . 30.0 m -78.27 -39.63 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.513 HG23 HG23 ' A' ' 53' ' ' VAL . 70.5 p -90.15 36.12 0.87 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.894 0.878 . . . . 0.0 111.051 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 . . . . . 0 CA--C 1.552 1.057 0 C-N-CA 123.262 0.625 . . . . 0.0 110.393 -161.698 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.029 0.442 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.44 86.29 0.14 Allowed Glycine 0 C--N 1.337 0.638 0 N-CA-C 108.92 -1.672 . . . . 0.0 108.92 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -85.72 97.38 10.11 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.985 0.898 . . . . 0.0 110.736 -163.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.527 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 31.8 t-80 -51.29 130.54 27.03 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 112.909 -1.951 . . . . 0.0 109.49 159.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -89.01 154.56 20.11 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.445 0.698 . . . . 0.0 111.332 -170.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.415 ' HB2' HD22 ' A' ' 19' ' ' LEU . 42.4 t -96.35 107.64 20.04 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 170.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -53.68 -46.96 70.83 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.828 0.851 . . . . 0.0 112.633 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.79 -58.18 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.585 0.754 . . . . 0.0 112.132 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.5 m -66.04 -35.32 80.22 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.055 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 p 82.42 -11.37 1.01 Allowed 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 127.824 2.449 . . . . 0.0 110.684 -168.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -92.32 -175.49 4.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.615 1.166 . . . . 0.0 110.04 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 t -151.31 160.26 43.88 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.111 0.564 . . . . 0.0 110.853 -176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.638 ' HD1' ' H ' ' A' ' 15' ' ' SER . 5.3 t80 -93.74 151.51 19.58 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -69.75 -27.49 64.99 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.142 0.577 . . . . 0.0 111.578 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.638 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 30.5 t -99.85 150.95 21.84 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.999 1.32 . . . . 0.0 109.585 172.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -37.27 56.52 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.238 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -75.11 -42.23 56.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.74 0.816 . . . . 0.0 109.357 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.58 -37.63 33.92 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 114.943 -1.026 . . . . 0.0 114.241 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 4' ' ' HIS . 2.0 tm? -68.53 -38.59 80.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.603 0.761 . . . . 0.0 110.577 176.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -60.32 -41.08 92.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.63 0.581 . . . . 0.0 111.478 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.98 -42.17 76.93 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.225 0.536 . . . . 0.0 110.761 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.09 -27.09 66.71 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.549 1.139 . . . . 0.0 111.888 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -67.98 -20.95 65.09 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.824 0.85 . . . . 0.0 111.231 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -72.24 -20.9 61.47 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.564 0.745 . . . . 0.0 112.081 -176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.9 p -72.51 -8.05 53.12 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.552 0.741 . . . . 0.0 112.022 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -120.31 8.8 10.89 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.367 0.667 . . . . 0.0 112.051 -173.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -56.26 -44.28 79.55 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.825 0.45 . . . . 0.0 111.331 175.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.47 177.96 48.53 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.619 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -69.42 146.36 62.07 Favored 'Trans proline' 0 C--N 1.366 1.463 0 C-N-CA 122.789 2.326 . . . . 0.0 111.206 172.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.39 86.79 2.38 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 123.695 0.798 . . . . 0.0 108.878 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -158.32 36.34 0.24 Allowed 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.406 0.622 . . . . 0.0 110.994 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -97.42 38.98 1.22 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.459 0.703 . . . . 0.0 109.627 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -82.41 110.86 17.92 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.098 0.559 . . . . 0.0 110.223 -170.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.3 ttm -119.84 142.17 48.87 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.899 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' N ' HD23 ' A' ' 48' ' ' LEU . 7.9 t -59.47 131.22 88.03 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 124.65 1.18 . . . . 0.0 112.731 -176.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -60.47 -43.22 34.91 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 123.085 2.523 . . . . 0.0 113.658 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.93 -53.85 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 30.3 p -125.31 10.07 7.97 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -173.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.86 41.03 97.53 Favored Glycine 0 N--CA 1.478 1.458 0 N-CA-C 119.026 2.37 . . . . 0.0 119.026 161.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 20.1 mp0 -72.46 130.16 40.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.584 0.754 . . . . 0.0 109.65 162.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 129.19 36.49 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -122.7 151.62 60.72 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 123.913 0.885 . . . . 0.0 110.137 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.36 -14.73 45.42 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 123.382 2.722 . . . . 0.0 113.804 -176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 p -151.58 164.0 37.83 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.518 0.675 . . . . 0.0 111.717 -176.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.27 57.46 4.04 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 85.3 mt -146.63 -55.95 0.26 Allowed 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.9 p -71.25 -37.92 71.94 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 113.802 -1.544 . . . . 0.0 111.544 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 35' ' ' CYS . 3.0 tm? -61.79 -43.81 98.12 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.552 0.741 . . . . 0.0 110.024 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.0 m -63.23 -41.69 99.14 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 124.105 0.878 . . . . 0.0 111.426 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 46.9 mt-10 -58.15 -42.54 86.12 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.559 0.744 . . . . 0.0 111.208 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -64.82 -42.03 95.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.723 0.64 . . . . 0.0 111.136 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 39.6 ttpt -67.71 -37.63 82.52 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.405 -173.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.9 m -76.85 -28.48 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 122.461 0.304 . . . . 0.0 111.663 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.8 p -87.98 12.97 11.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.143 0.577 . . . . 0.0 112.183 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.56 1.331 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.243 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.806 0.336 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.13 127.53 3.14 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 m -122.38 98.16 5.8 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.902 0.858 . . . . 0.0 109.784 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -92.06 71.67 5.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.203 166.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -129.07 134.47 48.11 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.045 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.88 97.59 1.44 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -56.34 -36.99 69.37 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.236 1.014 . . . . 0.0 112.499 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.44 -47.7 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.705 0.802 . . . . 0.0 111.293 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.9 m -85.67 -33.4 21.58 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.291 0.636 . . . . 0.0 111.602 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t 77.44 11.62 2.18 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 126.694 1.998 . . . . 0.0 111.579 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.2 149.91 22.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.144 0.977 . . . . 0.0 110.251 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -93.87 155.52 17.14 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.645 0.736 . . . . 0.0 111.658 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.42 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -81.61 -175.12 5.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.561 169.292 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -125.93 -52.17 1.55 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 171.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.8 p -116.3 153.56 31.73 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 125.037 1.335 . . . . 0.0 108.123 171.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.25 -33.82 76.61 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.659 0.384 . . . . 0.0 111.322 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -73.51 -26.13 60.75 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.13 -38.99 96.74 Favored Glycine 0 C--N 1.353 1.512 0 O-C-N 123.91 0.756 . . . . 0.0 112.244 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.08 -48.8 78.56 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.965 0.506 . . . . 0.0 109.805 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -60.92 -31.24 70.77 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.224 0.952 . . . . 0.0 112.309 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -67.38 -48.95 65.89 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.047 0.939 . . . . 0.0 109.269 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -68.56 -28.36 66.89 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.084 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.45 -33.91 70.26 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.863 1.265 . . . . 0.0 112.285 -173.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -74.91 -19.25 60.21 Favored 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.538 -169.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.1 p -76.86 -9.4 58.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.05 0.54 . . . . 0.0 112.182 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -99.98 4.37 44.82 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.079 0.552 . . . . 0.0 110.74 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -138.06 16.28 2.83 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.644 0.778 . . . . 0.0 110.247 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.95 148.55 24.62 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-O 119.029 -0.873 . . . . 0.0 111.574 173.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -58.16 122.79 12.3 Favored 'Trans proline' 0 C--N 1.369 1.648 0 C-N-CA 123.111 2.541 . . . . 0.0 111.912 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.51 76.5 1.34 Allowed 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.791 0.836 . . . . 0.0 109.306 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -98.16 148.09 23.92 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.216 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -93.28 126.06 38.2 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 170.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -143.95 82.16 1.71 Allowed 'General case' 0 C--O 1.242 0.702 0 CA-C-O 122.597 1.189 . . . . 0.0 107.831 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.5 ttt -134.11 134.55 42.38 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 113.721 -1.581 . . . . 0.0 107.456 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.0 t -60.42 132.48 90.73 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.744 0.818 . . . . 0.0 112.118 -176.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -66.2 -39.45 18.0 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.564 2.176 . . . . 0.0 112.965 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.8 mt -80.75 -52.61 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.427 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 28.0 p -128.82 8.47 5.75 Favored 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.61 39.72 97.88 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 118.616 2.206 . . . . 0.0 118.616 162.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 19.0 mp0 -70.89 125.06 25.81 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.513 0.725 . . . . 0.0 110.54 166.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 140.59 29.4 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 168.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -118.36 175.93 1.88 Allowed Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 123.328 0.651 . . . . 0.0 111.826 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.98 -39.87 47.42 Favored 'Trans proline' 0 C--N 1.392 2.852 0 C-N-CA 122.608 2.205 . . . . 0.0 112.96 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.6 m -155.15 176.49 12.48 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.656 0.782 . . . . 0.0 110.442 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 tp -85.99 76.15 9.87 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.703 0.801 . . . . 0.0 109.96 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -156.71 -53.36 0.08 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.4 p -67.74 -25.49 65.66 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.643 174.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.91 -41.05 87.76 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.778 0.674 . . . . 0.0 110.257 172.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.6 m -65.51 -42.63 91.85 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.115 0.966 . . . . 0.0 110.541 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -62.83 -42.15 99.62 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.849 -1.068 . . . . 0.0 111.228 176.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -62.5 -34.76 77.52 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.108 0.563 . . . . 0.0 111.593 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -67.12 -42.29 84.75 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 123.865 0.728 . . . . 0.0 111.624 -177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.19 -36.18 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.03 0 C-N-CA 123.015 0.526 . . . . 0.0 112.006 -175.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.5 p -97.95 38.48 1.3 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.942 0.897 . . . . 0.0 110.895 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 CA--C 1.559 1.298 0 C-N-CA 122.71 0.404 . . . . 0.0 111.457 -165.19 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.1 44.53 60.33 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 123.451 0.469 . . . . 0.0 112.266 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -110.33 97.32 6.81 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -109.42 70.09 0.72 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.094 170.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' HB2' ' HZ3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -102.01 142.26 33.56 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 162.288 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.83 103.88 10.97 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -42.45 -54.29 3.92 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.943 1.697 . . . . 0.0 113.665 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.11 -45.77 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 124.106 0.879 . . . . 0.0 111.448 -173.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.4 m -81.85 -34.23 30.25 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.354 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p 76.6 2.13 3.38 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 128.712 2.805 . . . . 0.0 112.957 -170.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -84.1 149.84 25.95 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.956 0.902 . . . . 0.0 110.599 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 t -91.54 162.03 14.7 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.751 0.82 . . . . 0.0 112.25 -174.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -178.83 6.89 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.255 169.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -135.56 -42.65 0.69 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 166.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -110.84 139.2 46.36 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.745 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.3 -36.83 79.92 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.226 0.61 . . . . 0.0 111.748 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -74.23 -25.73 59.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.332 0.653 . . . . 0.0 110.372 176.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.03 -40.72 98.45 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 124.004 0.815 . . . . 0.0 113.21 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.59 -46.82 87.82 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.338 0.59 . . . . 0.0 109.924 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -68.25 -30.85 69.98 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.609 -175.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -71.78 -46.19 59.15 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.062 0.945 . . . . 0.0 109.859 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -62.3 -27.05 68.77 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.195 -1.366 . . . . 0.0 111.602 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -59.24 -20.25 52.52 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.705 0.802 . . . . 0.0 113.159 -174.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -76.57 -22.66 53.99 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.016 0.927 . . . . 0.0 112.124 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 p -61.73 -23.73 66.34 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.446 1.099 . . . . 0.0 113.936 -168.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.34 -3.63 8.92 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.348 0.659 . . . . 0.0 111.485 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -90.8 -26.96 19.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.653 0.264 . . . . 0.0 110.941 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.2 174.1 13.69 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-O 119.51 -0.606 . . . . 0.0 111.942 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.87 142.58 12.65 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 122.421 2.081 . . . . 0.0 112.725 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.67 -15.85 43.93 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.89 0.876 . . . . 0.0 111.11 177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HD2' ' HA ' ' A' ' 43' ' ' PRO . 33.7 mtmt -116.88 109.36 16.97 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.8 23.13 5.78 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.765 0.793 . . . . 0.0 110.028 -173.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -98.39 91.07 5.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.332 0.586 . . . . 0.0 109.476 -172.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.4 ttp -97.52 141.86 30.06 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.645 1.178 . . . . 0.0 109.374 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.42 133.22 94.5 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 123.925 0.89 . . . . 0.0 111.544 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.1 -44.12 47.0 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 123.014 2.476 . . . . 0.0 113.543 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.7 mt -89.73 -54.86 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.21 0 N-CA-C 113.061 0.764 . . . . 0.0 113.061 -168.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.475 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 19.0 p -120.92 9.32 10.6 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.41 34.94 91.31 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 118.307 2.083 . . . . 0.0 118.307 163.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 20.7 mp0 -70.16 126.01 28.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.228 1.011 . . . . 0.0 110.305 164.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.429 ' H ' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -88.61 132.55 34.5 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 174.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -124.22 154.84 68.73 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 123.867 0.867 . . . . 0.0 110.565 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.491 ' HA ' ' HD2' ' A' ' 31' ' ' LYS . 39.5 Cg_endo -63.01 -22.59 73.82 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 123.136 2.557 . . . . 0.0 114.631 -175.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.7 p -149.06 165.5 31.51 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.362 0.601 . . . . 0.0 111.697 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tt -88.85 60.12 5.36 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 172.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 3.9 tt -158.22 -54.71 0.07 Allowed 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 p -63.2 -43.02 99.35 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 123.975 0.797 . . . . 0.0 110.818 171.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.5 -36.82 83.74 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.265 0.626 . . . . 0.0 109.901 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -65.64 -41.59 92.44 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.962 0.789 . . . . 0.0 111.361 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 16.7 mm-40 -58.23 -43.15 87.63 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.386 0.674 . . . . 0.0 110.85 176.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -68.89 -34.57 75.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.25 0.62 . . . . 0.0 110.895 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.55 -43.78 68.81 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.992 0.917 . . . . 0.0 111.909 -176.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.483 HG23 HG21 ' A' ' 54' ' ' THR . 34.6 m -78.19 -42.77 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 123.124 0.569 . . . . 0.0 112.177 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.483 HG21 HG23 ' A' ' 53' ' ' VAL . 74.8 p -97.96 29.4 3.47 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.278 0.631 . . . . 0.0 110.317 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 CA--C 1.556 1.2 0 C-N-CA 124.477 1.111 . . . . 0.0 112.11 176.679 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.854 0.359 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 122.71 -145.7 16.4 Favored Glycine 0 C--N 1.347 1.148 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 m -152.29 103.43 2.85 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.124 0.57 . . . . 0.0 109.699 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -68.78 76.75 0.3 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 159.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -130.47 144.45 51.41 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 125.483 1.513 . . . . 0.0 106.969 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.411 ' N ' HD22 ' A' ' 19' ' ' LEU . 42.4 t -55.5 104.05 0.11 Allowed 'General case' 0 C--O 1.21 -0.987 0 C-N-CA 124.322 1.049 . . . . 0.0 112.307 -169.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -58.42 -21.51 51.06 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -75.92 -58.21 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 C-N-CA 123.399 0.68 . . . . 0.0 110.801 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.4 m -89.6 -51.27 5.61 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 122.993 0.517 . . . . 0.0 111.219 -175.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 m 78.27 8.89 2.22 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.482 1.913 . . . . 0.0 112.424 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -59.61 -54.05 50.91 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -178.09 179.15 0.86 Allowed 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.525 0.679 . . . . 0.0 112.482 -160.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -168.35 152.7 6.1 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.841 2.056 . . . . 0.0 106.92 168.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -83.98 -52.01 6.67 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 t -149.71 -171.78 3.98 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 113.556 -1.656 . . . . 0.0 107.066 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.67 -35.91 81.18 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 118.488 0.585 . . . . 0.0 109.703 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -72.54 -33.68 67.0 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.753 0.821 . . . . 0.0 109.491 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.37 -46.35 91.92 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.998 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 6' ' ' CYS . 1.6 tm? -63.86 -40.75 97.28 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.106 0.562 . . . . 0.0 111.68 175.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -58.12 -40.95 82.54 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.064 0.546 . . . . 0.0 111.71 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.85 -45.06 94.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.702 0.801 . . . . 0.0 109.584 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -65.37 -34.27 77.92 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.286 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.8 -22.09 63.79 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.205 1.002 . . . . 0.0 112.044 -171.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -64.57 -13.96 55.4 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.762 1.225 . . . . 0.0 113.441 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.1 p -71.45 -14.01 62.01 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.076 0.55 . . . . 0.0 110.443 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -119.47 19.12 12.75 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.334 1.054 . . . . 0.0 110.387 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -72.05 -25.09 61.65 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.559 0.344 . . . . 0.0 110.833 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.65 170.86 48.14 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.069 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -65.94 144.45 76.66 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 122.782 2.321 . . . . 0.0 111.667 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.25 26.8 2.09 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.817 0.847 . . . . 0.0 110.104 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -92.44 121.61 34.08 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 124.368 1.067 . . . . 0.0 109.512 -170.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -174.31 141.98 0.76 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.241 1.016 . . . . 0.0 108.907 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.429 ' HD2' ' HG ' ' A' ' 48' ' ' LEU . 3.6 t80 -134.82 147.17 49.87 Favored 'General case' 0 C--O 1.243 0.717 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 169.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 54.9 ttp -106.39 129.65 54.35 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.041 1.336 . . . . 0.0 107.459 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.502 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 36.4 t -61.77 129.06 91.25 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 122.305 0.242 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.36 -28.48 71.79 Favored 'Trans proline' 0 C--N 1.367 1.533 0 C-N-CA 122.429 2.086 . . . . 0.0 112.797 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.6 mt -94.62 -51.41 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.5 p -131.24 15.48 5.08 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.502 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 43.54 36.92 3.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 120.491 2.957 . . . . 0.0 120.491 161.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.73 156.18 25.13 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 118.773 1.287 . . . . 0.0 110.476 165.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -83.39 126.43 32.72 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.981 0.912 . . . . 0.0 111.026 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -119.91 141.85 32.13 Favored Pre-proline 0 N--CA 1.481 1.099 0 C-N-CA 123.144 0.578 . . . . 0.0 110.216 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -69.47 -6.06 17.54 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 123.52 2.813 . . . . 0.0 114.374 -174.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -154.38 167.99 28.13 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.77 0.795 . . . . 0.0 111.665 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.98 47.75 1.44 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 113.891 -1.504 . . . . 0.0 107.466 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 78.0 mt -144.69 -53.38 0.31 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -64.52 -36.31 83.78 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.714 174.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HG ' ' HD2' ' A' ' 33' ' ' TYR . 3.1 tm? -63.16 -40.54 97.84 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.31 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.4 m -64.72 -39.67 94.03 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.75 0.82 . . . . 0.0 111.44 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 35.4 mm-40 -59.66 -46.31 89.4 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.702 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -61.52 -41.43 97.3 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.12 0.968 . . . . 0.0 111.181 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.53 -35.02 75.07 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.236 1.015 . . . . 0.0 112.811 -172.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.6 m -78.11 -29.05 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 122.465 0.306 . . . . 0.0 111.291 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -95.66 33.96 1.56 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.554 0.741 . . . . 0.0 110.813 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 . . . . . 0 CA--C 1.55 0.968 0 CA-C-O 119.443 -0.313 . . . . 0.0 110.208 -165.773 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.6 56.81 0.16 Allowed Glycine 0 C--N 1.337 0.629 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -159.93 107.02 1.64 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.835 0.854 . . . . 0.0 108.934 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -128.71 151.08 49.94 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.579 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 5.6 ttpm? -89.99 116.13 27.8 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.962 0.801 . . . . 0.0 110.598 -171.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.25 93.0 2.79 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 163.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -40.17 -45.19 1.98 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 125.661 1.584 . . . . 0.0 114.874 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -55.69 -45.35 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 123.959 0.904 . . . . 0.0 111.035 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -88.58 -31.78 18.46 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.973 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t 72.41 8.83 5.78 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.292 1.837 . . . . 0.0 111.413 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -107.74 -174.74 2.6 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.499 0.719 . . . . 0.0 110.214 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -148.55 160.25 43.28 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.361 0.6 . . . . 0.0 112.412 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.539 ' HD1' ' H ' ' A' ' 15' ' ' SER . 22.0 t80 -99.97 152.06 20.62 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 169.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.21 1.12 1.11 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.539 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 30.0 t -133.82 146.56 50.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.552 1.141 . . . . 0.0 109.237 172.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.3 91.68 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.584 0.552 . . . . 0.0 110.193 173.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -70.91 -27.76 64.02 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.841 0.857 . . . . 0.0 110.104 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.39 -37.89 40.19 Favored Glycine 0 C--N 1.344 0.988 0 O-C-N 123.995 0.81 . . . . 0.0 112.217 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -64.56 -46.4 82.97 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.945 0.898 . . . . 0.0 110.382 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.585 HH21 HD11 ' A' ' 23' ' ' LEU . 2.9 mmp_? -53.93 -48.44 70.22 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.697 0.799 . . . . 0.0 111.257 172.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.29 -26.96 66.8 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.687 0.795 . . . . 0.0 111.431 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -73.3 -46.93 46.75 Favored 'General case' 0 C--O 1.208 -1.081 0 C-N-CA 123.019 0.528 . . . . 0.0 110.134 172.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.585 HD11 HH21 ' A' ' 20' ' ' ARG . 7.0 tt -66.78 -26.29 66.89 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.876 0.87 . . . . 0.0 112.752 -167.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -64.26 -13.81 51.78 Favored 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.1 p -68.7 -25.16 64.64 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.234 0.613 . . . . 0.0 110.53 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -93.47 -27.18 16.84 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.353 0.661 . . . . 0.0 109.29 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -68.2 -35.53 78.13 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.487 0.715 . . . . 0.0 110.55 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.5 149.53 51.19 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-O 119.113 -0.826 . . . . 0.0 111.748 168.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.07 120.1 7.02 Favored 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 122.129 1.886 . . . . 0.0 112.287 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.08 100.75 10.7 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -141.9 148.2 38.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.948 0.899 . . . . 0.0 109.164 -170.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -175.43 -179.68 1.32 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.753 0.821 . . . . 0.0 110.135 -169.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -137.48 108.03 6.55 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 28.0 ttt -130.35 122.03 27.11 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.0 t -82.82 112.01 34.24 Favored Pre-proline 0 CA--C 1.544 0.746 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 172.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -27.75 -55.8 0.12 Allowed 'Trans proline' 0 C--N 1.391 2.809 1 C-N-CA 126.087 4.525 . . . . 0.0 116.447 -166.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.3 mt -89.98 -49.96 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 C-N-CA 123.218 0.607 . . . . 0.0 111.654 -172.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.83 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -101.2 -41.91 6.54 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -167.467 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.05 39.69 19.02 Favored Glycine 0 C--N 1.354 1.564 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.83 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 25.7 mm-40 -63.98 123.47 19.08 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 172.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.03 133.81 48.6 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.141 0.977 . . . . 0.0 110.901 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -138.03 154.14 74.02 Favored Pre-proline 0 N--CA 1.482 1.172 0 C-N-CA 123.576 0.75 . . . . 0.0 110.878 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -57.37 -24.29 59.71 Favored 'Trans proline' 0 C--N 1.385 2.456 0 C-N-CA 123.7 2.933 . . . . 0.0 114.139 -176.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.4 m -155.71 166.29 33.96 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.536 0.735 . . . . 0.0 110.401 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -89.06 61.78 5.99 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-O 122.273 1.035 . . . . 0.0 108.582 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -149.96 -55.83 0.17 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -61.37 -36.13 79.37 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.567 172.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.7 -43.64 98.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.106 0.962 . . . . 0.0 110.244 172.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.411 HG23 ' NZ ' ' A' ' 52' ' ' LYS . 21.1 m -65.86 -45.88 80.5 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.622 0.769 . . . . 0.0 111.506 -175.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -59.33 -39.04 81.86 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.12 0.968 . . . . 0.0 111.103 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -70.59 -45.31 65.58 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' NZ ' HG23 ' A' ' 49' ' ' THR . 20.8 pttm -65.4 -34.07 77.45 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -165.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.38 -29.08 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.524 0.73 . . . . 0.0 111.927 -174.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.2 p -75.77 13.28 0.85 Allowed 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -176.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 . . . . . 0 CA--C 1.547 0.837 0 CA-C-O 118.585 -0.721 . . . . 0.0 109.339 173.496 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mmm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.63 -113.66 2.74 Favored Glycine 0 C--N 1.355 1.602 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -143.5 99.05 3.36 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 167.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -89.07 69.85 8.41 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.518 1.152 . . . . 0.0 108.829 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -109.21 133.44 53.02 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.058 -1.428 . . . . 0.0 108.337 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.5 t -75.31 92.98 2.82 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 172.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -49.24 -38.04 25.38 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 124.861 1.264 . . . . 0.0 113.293 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 t -58.99 -45.54 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.749 0.785 . . . . 0.0 111.138 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.8 m -84.38 -27.7 27.47 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.247 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 p 70.97 11.47 7.03 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.672 2.389 . . . . 0.0 111.744 -169.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -97.35 165.44 12.02 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.253 1.021 . . . . 0.0 111.559 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 t -96.5 160.24 14.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.457 0.703 . . . . 0.0 112.34 -172.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -174.99 3.67 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.419 169.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -125.48 -59.19 1.39 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 105.69 -1.966 . . . . 0.0 105.69 170.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 p -109.53 153.75 23.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.191 0.997 . . . . 0.0 108.833 168.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -65.87 -33.18 75.25 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.837 0.455 . . . . 0.0 110.653 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -73.09 -30.74 63.89 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.421 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.33 99.16 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.426 175.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.14 -44.01 92.04 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.086 0.555 . . . . 0.0 110.586 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -60.99 -47.46 86.37 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.592 0.757 . . . . 0.0 112.25 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.54 -42.41 92.28 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.897 0.879 . . . . 0.0 110.626 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -67.96 -39.3 83.39 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.407 1.083 . . . . 0.0 110.29 176.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.42 -35.34 69.95 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.422 1.089 . . . . 0.0 111.85 -171.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -72.16 -17.17 61.97 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.019 0.928 . . . . 0.0 112.905 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -9.26 58.52 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.792 0.437 . . . . 0.0 111.281 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -104.18 -14.23 15.93 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.015 0.526 . . . . 0.0 111.058 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -70.32 38.03 0.05 OUTLIER 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 125.138 1.375 . . . . 0.0 112.773 168.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.79 167.37 18.66 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.99 162.51 31.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 123.362 2.708 . . . . 0.0 112.249 178.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.52 86.79 2.08 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 173.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -134.41 -7.81 2.56 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.163 0.985 . . . . 0.0 110.918 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -111.64 74.86 0.89 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -72.79 111.36 7.86 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.129 -167.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 56.8 ttp -106.49 133.02 51.81 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.366 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.424 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 35.2 t -60.12 116.58 18.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 123.998 0.919 . . . . 0.0 111.571 -176.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -63.54 -25.81 69.87 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 123.046 2.497 . . . . 0.0 112.551 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.3 mt -78.84 -53.91 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 O-C-N 123.558 0.536 . . . . 0.0 112.213 -173.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.497 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 23.3 p -127.25 -39.56 1.89 Allowed 'General case' 0 C--N 1.362 1.114 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 35' ' ' CYS . . . 119.62 49.08 0.32 Allowed Glycine 0 C--N 1.363 2.047 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 157.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 14.7 mp0 -79.69 125.44 29.65 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.669 1.188 . . . . 0.0 110.171 168.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -83.81 123.32 29.77 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.435 ' HD2' HD23 ' A' ' 48' ' ' LEU . 51.4 m-85 -116.93 155.25 49.47 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.342 1.057 . . . . 0.0 110.437 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.08 -22.83 25.58 Favored 'Trans proline' 0 C--N 1.387 2.561 0 C-N-CA 122.83 2.353 . . . . 0.0 112.668 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.6 p -158.36 168.89 25.76 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 121.505 0.669 . . . . 0.0 111.785 -171.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -87.58 71.0 9.8 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.5 mt -152.1 -54.23 0.13 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -72.74 -37.47 67.72 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.461 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' A' ' 42' ' ' PHE . 3.2 tm? -59.67 -39.32 84.07 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.915 0.486 . . . . 0.0 109.899 172.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.5 m -62.15 -41.85 98.69 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.571 0.749 . . . . 0.0 111.623 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.74 -37.55 87.8 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.362 0.665 . . . . 0.0 111.201 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.61 -50.42 31.0 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.757 0.823 . . . . 0.0 112.613 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -62.5 -35.07 78.22 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.602 0.761 . . . . 0.0 112.064 -174.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.6 m -74.91 -29.68 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 C-N-CA 122.677 0.391 . . . . 0.0 111.724 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.6 p -97.42 12.74 32.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.989 0.516 . . . . 0.0 112.058 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 123.531 0.732 . . . . 0.0 110.645 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.51 74.17 0.02 OUTLIER Glycine 0 C--N 1.342 0.871 0 N-CA-C 109.946 -1.262 . . . . 0.0 109.946 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 t -157.69 104.96 1.99 Allowed 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -140.06 150.81 44.82 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -88.96 134.17 34.06 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.284 0.947 . . . . 0.0 111.367 -170.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.4 t -88.52 104.56 16.94 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 165.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -47.87 -43.99 28.95 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.368 1.067 . . . . 0.0 113.632 -170.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.77 -45.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.191 0.996 . . . . 0.0 111.525 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.2 m -87.38 -32.22 19.69 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.125 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.2 p 66.23 16.02 10.29 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 126.802 2.041 . . . . 0.0 112.305 -169.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -114.98 -176.9 3.0 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.438 1.095 . . . . 0.0 110.748 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -148.22 164.2 34.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.657 0.783 . . . . 0.0 111.196 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -107.49 149.48 27.91 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.963 1.305 . . . . 0.0 109.818 173.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -53.93 -25.61 21.3 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.831 1.252 . . . . 0.0 113.272 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 m -110.22 136.06 50.01 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 171.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -36.09 82.93 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.201 0.6 . . . . 0.0 109.719 173.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -73.1 -28.03 62.04 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.255 1.022 . . . . 0.0 111.176 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.11 -35.6 64.3 Favored Glycine 0 C--N 1.344 1.007 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.9 -45.64 67.15 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.28 1.032 . . . . 0.0 110.456 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -59.92 -43.73 94.72 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.52 0.728 . . . . 0.0 111.896 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.58 -43.11 89.35 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.544 0.737 . . . . 0.0 109.925 173.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -64.8 -36.36 84.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.378 1.071 . . . . 0.0 111.559 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.64 -24.99 65.98 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.41 -22.31 63.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.654 1.182 . . . . 0.0 113.05 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 p -72.11 -17.1 62.01 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.5 0.72 . . . . 0.0 111.284 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -104.53 7.05 35.14 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.426 0.69 . . . . 0.0 111.793 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -72.32 -24.02 61.25 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.64 -164.47 35.18 Favored Glycine 0 C--N 1.349 1.265 0 CA-C-O 119.816 -0.435 . . . . 0.0 113.695 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.98 150.3 48.49 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.124 2.55 . . . . 0.0 112.033 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.83 64.53 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.615 0.766 . . . . 0.0 110.252 -174.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -77.64 1.46 19.69 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.398 0.679 . . . . 0.0 112.825 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 44.22 79.14 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.186 1.395 . . . . 0.0 112.777 173.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.418 ' HD2' ' HG ' ' A' ' 48' ' ' LEU . 8.3 t80 -82.38 142.8 31.68 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.075 -172.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 49.8 ttm -98.48 140.48 32.66 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.644 1.178 . . . . 0.0 108.046 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.563 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 48.5 t -68.62 126.87 93.16 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.087 -0.482 . . . . 0.0 110.678 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.95 -37.28 94.34 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.863 2.375 . . . . 0.0 111.879 174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.6 mt -84.19 -54.09 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.281 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.732 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 13.9 p -129.83 12.12 5.72 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -174.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.563 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 60.29 22.96 59.36 Favored Glycine 0 N--CA 1.48 1.596 0 N-CA-C 117.368 1.707 . . . . 0.0 117.368 173.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.732 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 18.2 mm-40 -61.64 133.27 55.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 117.386 0.593 . . . . 0.0 110.69 168.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -89.27 125.83 35.26 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.582 0.753 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -132.06 146.61 62.41 Favored Pre-proline 0 N--CA 1.476 0.864 0 C-N-CA 123.976 0.91 . . . . 0.0 109.516 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -59.88 -19.88 56.97 Favored 'Trans proline' 0 C--N 1.381 2.278 0 C-N-CA 123.836 3.024 . . . . 0.0 115.07 -171.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 p -150.74 172.02 16.25 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.716 0.769 . . . . 0.0 111.799 -171.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.47 43.83 1.17 Allowed 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.099 -1.409 . . . . 0.0 108.005 175.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -141.72 -53.87 0.45 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.2 p -68.74 -33.48 73.99 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.453 -1.248 . . . . 0.0 111.912 174.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 35' ' ' CYS . 2.2 tm? -70.36 -38.79 74.84 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 172.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 m -62.62 -46.07 89.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.456 0.702 . . . . 0.0 111.316 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.41 -38.21 90.25 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.514 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -63.46 -43.73 96.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.113 0.965 . . . . 0.0 110.86 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 55' ' ' HIS . 36.0 ttpt -68.99 -35.26 76.5 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.127 -172.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -80.04 -35.63 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 122.819 0.448 . . . . 0.0 112.153 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 p -94.79 36.98 1.15 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.144 0.978 . . . . 0.0 110.707 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 52' ' ' LYS . 17.9 t-80 . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 123.105 0.562 . . . . 0.0 110.333 -162.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.0 mtp . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.46 -152.79 24.05 Favored Glycine 0 C--N 1.347 1.178 0 O-C-N 123.426 0.454 . . . . 0.0 112.902 172.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -156.87 105.07 2.16 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.414 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 8.4 m-70 -98.55 159.38 14.99 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -170.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -101.19 120.59 40.46 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 123.383 0.673 . . . . 0.0 109.33 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.408 ' HB2' HD23 ' A' ' 19' ' ' LEU . 40.9 t -70.19 96.47 1.09 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.79 -29.98 13.02 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.401 1.08 . . . . 0.0 112.036 173.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 t -68.5 -49.9 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.738 0.815 . . . . 0.0 110.927 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.2 m -91.51 -86.82 0.22 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.8 m 175.41 -51.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.48 1.512 . . . . 0.0 109.58 -172.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.574 ' HG3' ' H ' ' A' ' 12' ' ' THR . 21.8 tpp180 -85.73 -176.94 6.24 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.846 0.859 . . . . 0.0 111.309 -164.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.574 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 9.9 t -128.73 156.25 43.81 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 125.079 1.351 . . . . 0.0 109.242 -169.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.569 ' HD1' ' H ' ' A' ' 15' ' ' SER . 6.9 t80 -108.22 138.63 44.17 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -46.94 -36.58 7.81 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.019 1.328 . . . . 0.0 113.533 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.569 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 59.9 p -108.56 141.29 40.68 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.53 0.732 . . . . 0.0 109.955 175.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.11 -46.34 79.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.141 0.976 . . . . 0.0 110.608 171.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -56.22 -33.47 65.4 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.746 1.219 . . . . 0.0 111.602 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.45 -40.86 31.8 Favored Glycine 0 C--N 1.344 1.011 0 O-C-N 124.134 0.896 . . . . 0.0 112.154 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 4' ' ' HIS . 2.2 tm? -65.25 -44.41 88.24 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 117.479 0.639 . . . . 0.0 109.585 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -53.4 -46.65 69.78 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 124.273 0.983 . . . . 0.0 111.397 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.37 -38.33 90.66 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.253 1.021 . . . . 0.0 110.833 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -70.66 -34.89 72.52 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.775 1.23 . . . . 0.0 111.086 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tt -65.42 -34.28 77.92 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.964 1.305 . . . . 0.0 111.568 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -56.85 -24.68 53.11 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.901 0.88 . . . . 0.0 112.507 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.0 p -78.23 -25.98 47.18 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 123.783 0.833 . . . . 0.0 111.093 -172.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -78.06 -26.62 48.34 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.179 0.592 . . . . 0.0 112.354 -171.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -89.48 32.96 0.83 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.345 0.658 . . . . 0.0 110.018 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.99 177.02 44.79 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 119.323 -0.709 . . . . 0.0 111.571 -171.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -69.19 118.69 5.83 Favored 'Trans proline' 0 C--N 1.365 1.426 0 CA-C-N 119.763 1.781 . . . . 0.0 109.498 172.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.8 74.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.835 1.254 . . . . 0.0 113.621 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HZ2' ' HB3' ' A' ' 31' ' ' LYS . 8.0 mtpm? -144.78 17.49 1.63 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.366 2.266 . . . . 0.0 106.856 172.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -106.95 162.32 13.94 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.2 1.4 . . . . 0.0 111.264 -166.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -119.81 133.0 55.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.027 0.931 . . . . 0.0 110.246 -176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.8 ttt -113.06 141.16 47.2 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.999 0.919 . . . . 0.0 109.459 -172.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.02 134.59 92.93 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.891 0.877 . . . . 0.0 112.338 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.88 -47.4 8.73 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.71 2.274 . . . . 0.0 112.683 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.5 mt -78.15 -54.48 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -169.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.483 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 8.5 p -123.86 7.7 8.72 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.97 34.31 88.45 Favored Glycine 0 N--CA 1.483 1.771 0 N-CA-C 117.89 1.916 . . . . 0.0 117.89 164.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 18.2 mp0 -59.41 141.29 54.97 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.432 1.093 . . . . 0.0 111.143 165.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -90.72 127.99 36.51 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 124.024 0.929 . . . . 0.0 110.008 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -136.74 140.96 33.47 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 123.378 0.671 . . . . 0.0 109.227 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.37 -13.1 32.79 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.173 2.582 . . . . 0.0 113.974 -174.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.0 p -148.29 166.97 26.41 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.378 0.609 . . . . 0.0 111.385 -172.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.5 43.07 1.13 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -139.02 -54.85 0.59 Allowed 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.4 p -60.56 -38.09 83.42 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.113 169.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.88 -36.87 85.77 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.148 0.579 . . . . 0.0 109.879 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.0 m -64.35 -46.06 85.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.432 0.693 . . . . 0.0 111.291 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.38 -48.93 68.2 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 123.141 0.577 . . . . 0.0 111.711 172.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -60.92 -38.02 84.3 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.647 0.379 . . . . 0.0 111.407 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -71.47 -39.6 70.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.917 0.887 . . . . 0.0 111.292 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -82.33 -36.06 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.017 0.527 . . . . 0.0 111.563 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.8 p -82.42 13.1 3.83 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.119 0.567 . . . . 0.0 111.974 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 CA--C 1.559 1.301 0 C-N-CA 123.454 0.701 . . . . 0.0 111.43 -179.549 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.97 -167.9 33.65 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.118 -0.492 . . . . 0.0 113.02 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -148.38 103.64 3.45 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 123.417 0.687 . . . . 0.0 109.764 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 4.3 t60 -57.88 90.0 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 166.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' HZ2' ' HB2' ' A' ' 5' ' ' LYS . 4.3 ttmp? -89.03 150.3 22.85 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.612 -173.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.54 99.55 8.87 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -46.82 -43.24 18.29 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.136 1.374 . . . . 0.0 113.907 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.86 -48.84 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 123.447 0.699 . . . . 0.0 111.123 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.6 m -74.74 -36.21 62.64 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.249 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m 69.13 8.79 7.03 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.61 1.564 . . . . 0.0 111.93 -167.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -106.19 164.89 11.64 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.539 0.736 . . . . 0.0 111.188 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.4 p -115.88 162.04 17.91 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.216 1.006 . . . . 0.0 112.511 -166.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' HB3' HD22 ' A' ' 19' ' ' LEU . 40.3 p90 -78.61 -174.72 4.0 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -176.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -111.13 -61.18 1.73 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 170.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.5 p -107.2 158.77 16.84 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.791 0.836 . . . . 0.0 109.285 172.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.06 -41.47 95.08 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.227 0.611 . . . . 0.0 111.464 -172.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -75.12 -21.82 58.62 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.53 0.732 . . . . 0.0 110.203 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.91 -37.66 91.38 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.823 174.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.3 tm? -70.47 -42.08 71.92 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -62.39 -41.62 98.79 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.144 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.41 -45.16 73.37 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.751 0.82 . . . . 0.0 110.436 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -61.68 -31.14 71.25 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.688 0.795 . . . . 0.0 111.908 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.44 -25.28 68.2 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.3 0.64 . . . . 0.0 111.959 -172.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -63.57 -22.33 66.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.644 1.178 . . . . 0.0 112.92 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.3 p -69.34 -9.05 51.59 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.088 0.955 . . . . 0.0 112.085 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -121.76 -22.4 5.81 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.595 0.758 . . . . 0.0 111.108 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -115.22 10.71 16.06 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.242 0.617 . . . . 0.0 112.396 -172.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.94 -174.35 47.93 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-O 119.527 -0.596 . . . . 0.0 112.839 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -62.21 122.36 10.78 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 122.762 2.308 . . . . 0.0 111.766 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.26 126.51 35.21 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HB3' HD11 ' A' ' 45' ' ' LEU . 46.7 mtmt -42.86 86.58 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 125.711 1.604 . . . . 0.0 114.567 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -78.85 178.63 7.8 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.902 0.881 . . . . 0.0 110.333 174.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.34 85.67 1.86 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.6 ttp -130.53 116.42 18.14 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.432 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 40.7 t -55.5 132.74 70.94 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 123.528 0.731 . . . . 0.0 112.564 -174.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.03 -37.32 43.69 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 122.203 1.935 . . . . 0.0 112.471 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mt -85.68 -54.47 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.722 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 13.7 p -122.87 3.49 9.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.432 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 62.93 27.74 70.79 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 116.647 1.419 . . . . 0.0 116.647 170.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.722 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 41.0 mm-40 -65.58 146.77 54.43 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 122.914 0.486 . . . . 0.0 111.831 168.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -102.89 139.26 38.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.561 1.145 . . . . 0.0 109.371 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -130.35 156.28 79.72 Favored Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 123.223 0.609 . . . . 0.0 110.783 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -64.13 -14.37 43.22 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.084 2.523 . . . . 0.0 113.944 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.0 p -149.73 168.07 24.68 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.889 0.852 . . . . 0.0 111.452 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 31' ' ' LYS . 1.4 tt -92.27 49.65 1.54 Allowed 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 173.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 87.3 mt -147.52 -51.29 0.19 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -176.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.6 p -63.7 -36.91 85.41 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.607 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.03 -29.17 68.91 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 123.093 0.557 . . . . 0.0 110.586 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.9 m -68.94 -45.33 71.05 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.853 0.861 . . . . 0.0 110.812 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 46.3 mt-10 -58.63 -48.62 80.41 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.479 177.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -58.51 -40.1 81.91 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.482 1.113 . . . . 0.0 112.367 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -60.93 -46.62 89.94 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.971 0.794 . . . . 0.0 112.27 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 m -78.86 -40.32 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 122.804 0.442 . . . . 0.0 112.19 -173.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.3 p -94.21 37.96 1.1 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.247 1.019 . . . . 0.0 110.585 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--O 1.25 1.091 0 C-N-CA 123.376 0.67 . . . . 0.0 110.672 -165.203 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.25 97.05 2.43 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.999 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -139.79 102.33 4.4 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.577 ' HD1' ' HB2' ' A' ' 16' ' ' GLU . 17.8 m170 -53.13 127.29 23.67 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.321 168.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' HZ2' ' HB2' ' A' ' 5' ' ' LYS . 4.3 ttmp? -107.63 148.32 29.49 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.398 1.479 . . . . 0.0 111.032 -173.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.474 ' HB2' HD23 ' A' ' 19' ' ' LEU . 42.3 t -82.83 107.17 15.25 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 171.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -56.89 -38.71 73.16 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.578 0.751 . . . . 0.0 112.008 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.7 -56.98 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 C-N-CA 123.401 0.68 . . . . 0.0 111.322 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.91 -28.9 64.86 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.1 p 70.53 2.71 4.19 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 127.003 2.121 . . . . 0.0 111.846 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -101.26 165.12 11.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.311 1.044 . . . . 0.0 109.913 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -119.77 153.74 35.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.833 0.853 . . . . 0.0 109.931 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.483 ' HD2' ' H ' ' A' ' 15' ' ' SER . 23.6 t80 -87.33 162.16 17.53 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -64.1 -30.95 71.98 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.912 0.485 . . . . 0.0 110.654 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.483 ' H ' ' HD2' ' A' ' 13' ' ' PHE . 15.9 t -125.97 163.15 23.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.713 1.205 . . . . 0.0 109.112 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.577 ' HB2' ' HD1' ' A' ' 4' ' ' HIS . 12.8 pt-20 -88.66 -30.54 19.08 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -169.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -75.0 -42.37 57.67 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.38 -39.86 60.11 Favored Glycine 0 C--N 1.345 1.061 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.457 172.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 6' ' ' CYS . 2.6 tm? -65.65 -47.14 76.57 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 123.271 0.628 . . . . 0.0 110.851 174.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -55.2 -42.03 72.73 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.552 0.741 . . . . 0.0 112.213 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -67.99 -39.9 83.19 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.927 0.491 . . . . 0.0 110.328 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.91 -26.75 68.45 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.058 0.943 . . . . 0.0 111.448 174.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 tt -71.51 -27.9 63.53 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -78.47 -27.62 46.36 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 124.046 0.939 . . . . 0.0 111.283 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.1 p -65.46 -12.03 48.68 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -91.59 -24.98 19.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.054 0.542 . . . . 0.0 111.026 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -100.17 -19.43 16.44 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.026 0.53 . . . . 0.0 110.787 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.38 -178.5 51.22 Favored Glycine 0 C--N 1.343 0.969 0 C-N-CA 123.665 0.65 . . . . 0.0 113.497 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -62.45 120.94 8.71 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.851 2.367 . . . . 0.0 111.105 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.12 146.03 8.91 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.075 0.95 . . . . 0.0 109.129 -174.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HB2' ' HZ1' ' A' ' 31' ' ' LYS . 10.3 mtmp? -73.41 160.91 31.07 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 174.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -117.46 160.95 20.36 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 174.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.515 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -87.83 133.67 33.84 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.746 0.418 . . . . 0.0 110.489 -172.598 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.0 ttt -106.09 132.98 51.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 170.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.41 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 36.1 t -60.38 121.17 58.05 Favored Pre-proline 0 CA--C 1.551 0.992 0 O-C-N 123.536 0.523 . . . . 0.0 111.092 -176.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.98 -36.05 98.35 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.697 2.265 . . . . 0.0 113.59 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.8 mt -88.52 -53.31 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -172.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.718 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 6.6 p -116.87 -0.98 12.11 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 66.65 29.31 74.54 Favored Glycine 0 C--N 1.341 0.82 0 N-CA-C 116.859 1.504 . . . . 0.0 116.859 170.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.718 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 28.9 mm-40 -67.71 113.37 5.44 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 117.247 0.524 . . . . 0.0 110.11 165.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -83.14 126.98 33.2 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -116.77 153.86 49.32 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 123.933 0.893 . . . . 0.0 110.012 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.82 -13.57 40.44 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 123.071 2.514 . . . . 0.0 113.309 -175.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.3 p -153.04 169.09 23.78 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.535 0.683 . . . . 0.0 111.4 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.515 ' HG ' ' HB2' ' A' ' 33' ' ' TYR . 5.3 mp -88.78 42.12 1.06 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.753 1.221 . . . . 0.0 109.265 176.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.4 mt -138.21 -53.58 0.62 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -168.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 p -67.68 -34.85 77.73 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 112.981 -1.918 . . . . 0.0 111.357 172.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HG ' ' HB3' ' A' ' 33' ' ' TYR . 2.8 tm? -66.14 -35.42 80.44 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -67.9 -38.73 83.33 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.061 0.544 . . . . 0.0 110.924 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.1 -38.25 88.16 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.475 172.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -70.69 -51.51 27.16 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.095 0.958 . . . . 0.0 112.695 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.672 ' HZ3' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.52 -30.62 65.31 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -167.267 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.3 m -62.95 -20.62 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 124.018 0.927 . . . . 0.0 113.03 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -79.29 -2.67 42.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.951 0.501 . . . . 0.0 112.296 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--O 1.249 1.043 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.061 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.71 -90.86 0.4 Allowed Glycine 0 C--N 1.34 0.783 0 O-C-N 123.687 0.617 . . . . 0.0 112.352 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -89.88 99.64 12.61 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.922 0.867 . . . . 0.0 109.569 -172.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.417 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 64.4 m80 -70.03 71.81 0.4 Allowed 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 114.019 -1.446 . . . . 0.0 109.975 168.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -107.04 137.62 44.77 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.064 -0.971 . . . . 0.0 108.972 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.0 t -94.53 82.04 3.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.332 1.053 . . . . 0.0 108.415 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -57.42 -35.92 70.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.301 1.44 . . . . 0.0 114.741 -167.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.4 t -58.53 -45.61 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.164 0.586 . . . . 0.0 111.61 -171.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.0 p -92.82 -28.71 16.37 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.23 0.612 . . . . 0.0 111.014 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 m 99.43 3.05 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 128.051 2.541 . . . . 0.0 112.696 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -81.17 146.2 30.63 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.828 0.451 . . . . 0.0 110.545 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -98.66 170.53 8.73 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 123.546 0.738 . . . . 0.0 110.846 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -76.57 169.22 18.67 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.813 0.816 . . . . 0.0 112.247 175.65 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -112.86 -59.62 1.99 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -114.32 170.98 7.9 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 114.297 -1.32 . . . . 0.0 107.524 163.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.85 -34.96 77.72 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 117.683 0.22 . . . . 0.0 110.819 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -74.89 -28.55 60.68 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.171 0.589 . . . . 0.0 110.058 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.98 -36.44 88.18 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.949 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HG ' ' HB3' ' A' ' 4' ' ' HIS . 2.7 tm? -60.87 -47.3 87.0 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.339 0.655 . . . . 0.0 109.94 172.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -63.82 -39.1 93.42 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 124.366 1.041 . . . . 0.0 111.465 -173.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.83 -47.94 64.76 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.45 0.7 . . . . 0.0 110.003 176.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -60.71 -29.08 69.13 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.98 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.19 -33.16 75.14 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.58 0.752 . . . . 0.0 110.921 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -73.97 -17.38 61.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.139 0.976 . . . . 0.0 111.594 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.1 p -68.87 -12.8 61.94 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.15 0.58 . . . . 0.0 111.624 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -116.39 -20.97 9.48 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.908 0.883 . . . . 0.0 110.128 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -82.2 -37.78 25.56 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.898 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.21 -148.26 6.0 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.222 170.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.76 121.71 7.23 Favored 'Trans proline' 0 CA--C 1.551 1.367 0 C-N-CA 122.183 1.922 . . . . 0.0 111.65 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.64 133.7 55.64 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -65.58 91.18 0.12 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.562 0.745 . . . . 0.0 112.927 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -92.44 143.74 26.06 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 165.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.429 ' HH ' HD22 ' A' ' 45' ' ' LEU . 85.8 m-85 -74.16 107.21 6.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.615 0.721 . . . . 0.0 112.87 -162.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 47.6 ttm -100.89 140.31 35.35 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.367 -1.288 . . . . 0.0 107.844 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.509 ' HA ' HD23 ' A' ' 48' ' ' LEU . 20.2 t -58.57 130.83 85.23 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.779 0.832 . . . . 0.0 111.917 -178.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.07 -40.36 34.27 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.525 2.15 . . . . 0.0 112.18 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mt -81.49 -53.63 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -168.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 22.7 p -127.39 8.78 6.55 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.38 36.08 92.91 Favored Glycine 0 N--CA 1.477 1.387 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 163.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 21.5 mp0 -69.68 122.48 19.22 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.038 0.935 . . . . 0.0 109.478 164.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -73.37 132.2 42.75 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.47 ' HD2' HD21 ' A' ' 48' ' ' LEU . 68.2 m-85 -127.7 152.2 76.53 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 124.079 0.952 . . . . 0.0 109.629 175.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -64.34 -28.6 63.33 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.569 2.179 . . . . 0.0 113.218 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -159.14 175.16 13.81 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 121.411 0.624 . . . . 0.0 111.964 -170.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.429 HD22 ' HH ' ' A' ' 33' ' ' TYR . 1.9 pp -82.27 45.24 0.93 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.115 1.366 . . . . 0.0 112.134 178.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -132.24 -55.47 0.97 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 -177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -69.27 -35.19 75.82 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.156 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 35' ' ' CYS . 3.2 tm? -66.33 -40.09 89.65 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -63.45 -45.0 92.9 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.512 0.725 . . . . 0.0 111.149 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -61.55 -43.32 99.08 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.887 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.68 -37.81 85.49 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.576 0.75 . . . . 0.0 111.183 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.55 -40.71 69.82 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.798 0.839 . . . . 0.0 112.422 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.2 m -77.14 -28.98 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 122.172 -0.33 . . . . 0.0 111.538 -176.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.9 p -98.84 14.4 29.03 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.279 0.632 . . . . 0.0 111.749 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 . . . . . 0 CA--C 1.556 1.179 0 C-N-CA 123.292 0.637 . . . . 0.0 111.002 179.414 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.3 -179.87 49.5 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.67 0.606 . . . . 0.0 113.125 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -152.42 106.0 3.08 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 123.525 0.73 . . . . 0.0 109.951 -176.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -62.71 87.79 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 162.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -132.49 147.99 52.38 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.073 1.349 . . . . 0.0 107.512 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 33.9 t -73.34 22.37 0.07 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 116.161 1.911 . . . . 0.0 116.161 -158.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 52.35 -68.51 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 126.025 1.73 . . . . 0.0 115.128 153.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.47 -50.67 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.811 1.244 . . . . 0.0 109.376 173.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.518 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 96.4 m -68.26 -48.12 65.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.552 169.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.2 p 46.03 74.87 0.13 Allowed 'General case' 0 C--N 1.361 1.077 0 O-C-N 124.924 1.39 . . . . 0.0 110.406 -165.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.518 ' HG2' ' HB3' ' A' ' 9' ' ' CYS . 15.2 mmm180 -125.0 -71.87 0.69 Allowed 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -168.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -179.92 -170.43 0.15 Allowed 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.162 -161.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -164.89 147.09 8.17 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.702 1.601 . . . . 0.0 107.583 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -78.53 -42.59 29.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.1 p -161.66 -173.39 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 113.419 -1.719 . . . . 0.0 108.521 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 37.6 mm-40 -61.31 -47.84 84.13 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 171.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -68.9 -31.56 70.57 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.485 0.714 . . . . 0.0 110.019 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.05 -51.15 60.92 Favored Glycine 0 C--N 1.354 1.557 0 O-C-N 124.485 1.116 . . . . 0.0 111.85 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.441 HD21 ' N ' ' A' ' 6' ' ' CYS . 2.7 tm? -59.21 -50.36 74.34 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.219 1.008 . . . . 0.0 111.549 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 18.6 mtm180 -63.65 -41.58 98.2 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.255 -174.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -46.36 79.68 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.884 0.874 . . . . 0.0 109.755 174.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -70.64 -27.46 64.07 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.341 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -63.78 -23.34 67.32 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.541 0.737 . . . . 0.0 112.874 -172.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.29 -19.44 46.18 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.196 0.998 . . . . 0.0 113.008 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.0 p -76.02 -1.96 28.33 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.777 0.831 . . . . 0.0 111.847 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -124.19 -23.26 4.58 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.844 0.857 . . . . 0.0 110.874 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -59.4 -44.49 92.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.785 0.834 . . . . 0.0 110.949 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.77 -139.02 8.88 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.833 171.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -77.68 162.26 30.15 Favored 'Trans proline' 0 C--N 1.364 1.385 0 C-N-CA 123.534 2.823 . . . . 0.0 112.944 175.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.34 37.86 2.61 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -64.23 133.08 52.12 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.653 -168.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -67.17 -30.78 70.85 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.888 0.743 . . . . 0.0 111.24 -174.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.616 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -143.19 115.44 8.44 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 164.135 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.3 ttm -93.79 119.42 32.73 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 166.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.411 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 9.3 t -64.0 127.12 91.42 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 123.378 0.671 . . . . 0.0 110.867 -168.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -52.11 -44.92 42.47 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.161 2.574 . . . . 0.0 114.784 -172.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.9 mt -84.53 -51.96 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 p -99.54 -37.64 9.09 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.411 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 73.9 28.52 64.62 Favored Glycine 0 C--N 1.349 1.289 0 N-CA-C 115.367 0.907 . . . . 0.0 115.367 173.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.19 164.09 24.98 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.442 0.697 . . . . 0.0 111.86 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -93.26 122.59 35.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.617 0.767 . . . . 0.0 109.901 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.443 ' HB3' ' HG1' ' A' ' 47' ' ' THR . 73.8 m-85 -112.57 140.81 24.27 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 123.628 0.771 . . . . 0.0 109.578 177.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -54.09 -32.76 70.93 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 123.424 2.749 . . . . 0.0 112.939 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 t -161.7 179.59 8.02 Favored 'General case' 0 C--O 1.247 0.939 0 C-N-CA 123.542 0.737 . . . . 0.0 109.994 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 33' ' ' TYR . 2.1 tt -92.54 59.33 3.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.67 0.788 . . . . 0.0 108.904 -174.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mp -139.25 -48.27 0.48 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.443 ' HG1' ' HB3' ' A' ' 42' ' ' PHE . 33.1 p -62.95 -28.68 70.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.577 175.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.472 ' HG ' ' HB3' ' A' ' 33' ' ' TYR . 3.2 tm? -60.56 -44.66 95.92 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 171.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 m -65.49 -41.73 92.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.638 0.775 . . . . 0.0 110.914 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.88 -42.96 94.37 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.184 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -70.68 -47.92 57.42 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.512 1.125 . . . . 0.0 113.537 -174.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.524 ' HZ3' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -52.17 -33.75 41.98 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 124.465 1.106 . . . . 0.0 113.711 -167.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.2 m -60.51 -25.28 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 123.941 0.896 . . . . 0.0 112.447 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.8 p -83.63 0.96 44.6 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 . . . . . 0 CA--C 1.554 1.097 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.211 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.44 92.55 0.07 OUTLIER Glycine 0 C--N 1.354 1.54 0 O-C-N 123.933 0.771 . . . . 0.0 111.774 174.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 p -163.04 105.83 1.03 Allowed 'General case' 0 C--O 1.244 0.779 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.14 166.88 10.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.941 0.791 . . . . 0.0 109.597 -174.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HZ2' ' HB2' ' A' ' 5' ' ' LYS . 4.4 ttmp? -109.7 115.5 29.99 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.45 0.7 . . . . 0.0 109.936 -178.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.2 t -70.26 91.07 0.71 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 171.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -54.81 -32.07 59.93 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.794 1.238 . . . . 0.0 112.416 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.2 t -56.62 -44.12 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 124.143 0.977 . . . . 0.0 110.583 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.2 m -88.35 -22.82 23.61 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.581 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m 75.98 7.9 3.6 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.648 1.979 . . . . 0.0 112.098 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -115.59 174.19 6.14 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.395 0.678 . . . . 0.0 110.529 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -121.9 156.02 34.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.763 0.825 . . . . 0.0 110.125 -172.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -107.57 136.79 46.74 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 165.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -73.39 0.15 13.04 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.5 m -132.38 136.28 46.71 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.052 0.941 . . . . 0.0 109.794 173.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.36 -55.68 30.71 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.468 1.107 . . . . 0.0 112.393 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.04 -19.32 63.3 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.545 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.2 -36.85 49.92 Favored Glycine 0 C--N 1.343 0.921 0 O-C-N 123.894 0.746 . . . . 0.0 111.733 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.98 -46.81 82.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.058 0.943 . . . . 0.0 110.296 171.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -62.58 -32.45 73.44 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.807 0.843 . . . . 0.0 111.473 176.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.19 -32.82 59.19 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.501 0.72 . . . . 0.0 110.585 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.455 ' O ' HG22 ' A' ' 25' ' ' THR . 36.1 t60 -67.27 -36.73 82.19 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.891 0.876 . . . . 0.0 109.651 172.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -23.21 66.25 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.816 1.246 . . . . 0.0 111.171 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -63.91 -15.51 59.26 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.601 0.76 . . . . 0.0 112.925 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 22' ' ' HIS . 4.9 t -81.77 -20.15 39.82 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.804 0.442 . . . . 0.0 110.981 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -90.37 39.79 0.99 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.627 1.171 . . . . 0.0 110.609 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -81.33 -9.74 59.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.084 0.553 . . . . 0.0 111.72 -169.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.26 -166.36 10.64 Favored Glycine 0 C--N 1.342 0.911 0 CA-C-O 119.107 -0.829 . . . . 0.0 111.441 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -81.58 123.57 4.34 Favored 'Trans proline' 0 C--N 1.369 1.653 0 C-N-CA 123.236 2.624 . . . . 0.0 111.76 -178.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.77 -65.95 0.95 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 169.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -140.19 61.15 1.53 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 167.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -112.78 101.9 9.96 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -116.89 146.5 42.9 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.307 0.575 . . . . 0.0 112.327 -169.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.1 ttm -110.1 143.3 40.35 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.387 1.475 . . . . 0.0 107.37 171.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.63 143.44 96.49 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 122.651 0.38 . . . . 0.0 111.777 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.87 -48.6 0.47 Allowed 'Trans proline' 0 CA--C 1.556 1.581 0 C-N-CA 122.021 1.814 . . . . 0.0 113.128 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -78.84 -51.97 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -167.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.5 p -109.77 -39.83 4.99 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.488 0.585 . . . . 0.0 111.436 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.34 39.76 4.4 Favored Glycine 0 C--N 1.348 1.205 0 N-CA-C 116.725 1.45 . . . . 0.0 116.725 156.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.26 160.25 29.02 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 117.631 0.716 . . . . 0.0 110.617 167.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -86.59 146.38 26.37 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.81 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -123.43 145.44 46.78 Favored Pre-proline 0 N--CA 1.483 1.215 0 C-N-CA 123.355 0.662 . . . . 0.0 111.288 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -73.39 -18.65 22.9 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.314 2.676 . . . . 0.0 112.996 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 p -158.94 164.38 35.67 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.453 0.701 . . . . 0.0 111.184 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -84.6 79.15 9.69 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 57.2 tp -160.92 -55.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -65.77 -31.67 72.78 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.973 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.1 -44.09 91.93 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.352 0.661 . . . . 0.0 110.33 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.8 m -67.92 -41.79 82.07 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.621 0.768 . . . . 0.0 111.249 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 7.9 mm-40 -62.56 -40.33 96.48 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.718 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -71.15 -37.42 72.26 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.895 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -57.04 -51.68 68.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.216 1.006 . . . . 0.0 111.35 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.94 -26.5 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.757 -174.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.7 p -86.84 5.45 36.67 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 118.894 -0.574 . . . . 0.0 111.386 176.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttm . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.54 -154.23 20.02 Favored Glycine 0 C--N 1.347 1.146 0 N-CA-C 110.444 -1.063 . . . . 0.0 110.444 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -149.11 98.1 2.78 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.318 0.58 . . . . 0.0 109.536 172.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -86.03 70.96 10.65 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 163.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -118.52 136.6 53.74 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.713 -1.131 . . . . 0.0 108.215 -175.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.9 t -78.2 94.52 4.77 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -49.18 -40.27 32.51 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.811 1.244 . . . . 0.0 113.698 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.92 -44.85 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 C-N-CA 124.05 0.94 . . . . 0.0 110.874 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.4 m -79.88 -30.02 40.08 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.764 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 m 72.96 9.74 5.4 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.561 1.945 . . . . 0.0 112.836 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -113.58 168.24 9.93 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -101.57 162.5 12.86 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.475 -163.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -175.04 3.79 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.369 174.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -133.77 -55.0 0.88 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.9 p -105.43 146.06 30.0 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 124.556 1.142 . . . . 0.0 108.344 168.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.95 -39.13 87.2 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.883 0.473 . . . . 0.0 110.797 -175.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -73.59 -21.76 60.24 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.034 0.534 . . . . 0.0 110.162 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.95 97.65 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.885 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.59 -42.26 98.61 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.12 0.568 . . . . 0.0 110.247 174.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -58.76 -49.66 76.81 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 124.162 0.914 . . . . 0.0 111.475 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.34 -38.34 89.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.453 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -66.52 -36.1 81.87 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.21 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -63.98 -18.24 64.09 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.989 0.516 . . . . 0.0 111.521 -173.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -71.31 -13.24 61.82 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.623 1.169 . . . . 0.0 112.581 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.4 p -73.83 -11.61 60.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.984 0.514 . . . . 0.0 110.972 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -120.79 38.0 4.15 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.362 1.065 . . . . 0.0 108.666 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -104.88 -20.29 13.62 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.119 0.568 . . . . 0.0 110.515 -168.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.4 -175.89 52.57 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 119.301 -0.721 . . . . 0.0 111.386 -169.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.78 124.29 15.5 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 123.385 2.724 . . . . 0.0 112.271 173.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.68 151.88 37.94 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.783 0.833 . . . . 0.0 110.902 -171.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt 73.06 -57.7 0.63 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.09 1.756 . . . . 0.0 112.409 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -74.37 -170.73 1.04 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.368 0.667 . . . . 0.0 111.546 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.417 ' HE1' ' HE ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -141.49 86.76 2.03 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.644 0.777 . . . . 0.0 109.772 -169.452 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 51.4 ttm -110.05 129.82 55.63 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.2 t -74.49 121.99 86.5 Favored Pre-proline 0 CA--C 1.56 1.332 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.964 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -46.06 -41.19 21.25 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 124.381 3.388 . . . . 0.0 116.291 -174.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.1 mt -91.98 -53.91 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.535 ' SG ' ' HG3' ' A' ' 40' ' ' GLU . 6.5 p -104.63 -19.62 13.91 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -167.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.1 18.13 79.03 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 116.055 1.182 . . . . 0.0 116.055 173.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.535 ' HG3' ' SG ' ' A' ' 38' ' ' CYS . 51.3 mt-10 -67.16 127.87 34.23 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 117.284 0.542 . . . . 0.0 111.139 173.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.417 ' HE ' ' HE1' ' A' ' 33' ' ' TYR . 2.1 tmt_? -87.18 135.44 33.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.655 1.182 . . . . 0.0 109.938 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -121.69 160.21 47.51 Favored Pre-proline 0 N--CA 1.483 1.182 0 C-N-CA 124.54 1.136 . . . . 0.0 109.836 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -56.8 -26.08 64.59 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 123.26 2.64 . . . . 0.0 113.564 -175.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.6 m -146.13 162.52 37.78 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.23 0.612 . . . . 0.0 110.105 -177.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 tp -88.85 54.43 3.01 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 122.649 1.214 . . . . 0.0 108.056 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 45.3 tp -150.45 -53.39 0.15 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -61.76 -33.97 75.02 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.62 168.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.33 -43.18 99.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.204 1.002 . . . . 0.0 109.937 172.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 m -65.62 -45.28 83.7 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.974 0.91 . . . . 0.0 111.187 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 13.3 mm-40 -55.22 -46.11 75.93 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.301 1.04 . . . . 0.0 110.845 175.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -66.9 -40.24 87.66 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 123.772 0.67 . . . . 0.0 110.932 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.78 -46.14 86.55 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.066 0.946 . . . . 0.0 110.781 -169.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.36 -31.88 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 122.848 0.459 . . . . 0.0 111.609 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -87.64 21.36 2.6 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.696 172.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.18 -161.45 26.77 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 123.847 0.717 . . . . 0.0 112.615 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 p -91.65 98.72 11.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 122.346 1.07 . . . . 0.0 108.61 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -117.84 100.89 7.88 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 113.647 -1.615 . . . . 0.0 111.268 171.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -144.35 130.72 19.79 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.441 167.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -89.04 104.8 17.32 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 165.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -51.56 -44.84 62.83 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.575 1.15 . . . . 0.0 112.547 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.89 -44.75 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.997 -173.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.1 m -81.52 -31.62 32.71 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.516 0.726 . . . . 0.0 111.588 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 m 77.46 8.59 2.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.137 1.775 . . . . 0.0 110.923 -171.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -117.15 -158.83 0.71 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.771 1.228 . . . . 0.0 109.474 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -164.24 177.44 8.32 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.127 0.489 . . . . 0.0 112.189 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -97.78 146.64 25.2 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 164.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -79.35 18.03 0.75 Allowed 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 118.823 0.738 . . . . 0.0 112.185 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -147.22 147.69 30.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.236 1.415 . . . . 0.0 108.173 169.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 2.5 mp0 -68.84 -48.2 64.11 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.813 0.845 . . . . 0.0 112.364 -168.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.65 -27.95 65.47 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.911 0.484 . . . . 0.0 110.213 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.1 -36.53 56.54 Favored Glycine 0 C--N 1.348 1.24 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.283 176.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.71 -41.29 96.09 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.799 0.84 . . . . 0.0 110.642 173.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 31.7 mmm180 -58.76 -37.09 75.48 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.871 0.732 . . . . 0.0 111.505 173.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.61 -38.85 74.0 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.564 0.746 . . . . 0.0 110.633 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -63.49 -37.81 88.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.336 1.054 . . . . 0.0 110.824 177.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.37 -28.8 63.5 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.871 1.268 . . . . 0.0 112.102 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.7 -20.34 66.26 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.775 0.83 . . . . 0.0 113.054 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.6 p -71.41 -25.85 62.51 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.945 0.498 . . . . 0.0 111.017 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -91.69 -4.91 54.59 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.529 0.732 . . . . 0.0 111.124 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -82.85 -13.15 56.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.543 168.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.08 163.99 22.09 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.7 119.89 7.24 Favored 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.41 2.073 . . . . 0.0 110.585 172.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.59 87.8 1.52 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.553 0.741 . . . . 0.0 109.498 -173.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -154.13 69.42 0.78 Allowed 'General case' 0 C--O 1.245 0.822 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -79.04 151.03 31.71 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.33 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.426 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -126.84 89.12 2.93 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -176.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.1 ttp -125.41 127.44 46.55 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.089 -171.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.536 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 34.6 t -83.31 126.46 71.77 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-O 118.988 -0.529 . . . . 0.0 110.312 173.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -47.14 -52.8 7.24 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 123.033 2.489 . . . . 0.0 114.024 167.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.4 mt -72.08 -55.91 11.83 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.13 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -172.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -44.45 4.01 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 118.313 0.506 . . . . 0.0 111.647 -173.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.536 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 91.65 31.35 9.51 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 115.078 0.791 . . . . 0.0 115.078 166.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -78.71 164.62 24.43 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.646 0.778 . . . . 0.0 111.665 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -115.09 138.42 50.91 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.141 0.976 . . . . 0.0 109.297 -175.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -124.37 161.69 46.37 Favored Pre-proline 0 N--CA 1.479 0.975 0 C-N-CA 124.035 0.934 . . . . 0.0 109.784 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -47.12 -27.66 6.61 Favored 'Trans proline' 0 C--N 1.391 2.811 0 C-N-CA 123.973 3.115 . . . . 0.0 114.748 -176.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -156.31 179.59 9.09 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.498 0.666 . . . . 0.0 111.033 175.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 33' ' ' TYR . 28.6 tp -87.15 36.48 0.73 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.854 1.262 . . . . 0.0 110.06 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 3.4 mm? -130.42 -52.53 1.09 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -174.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.1 p -64.28 -29.97 71.04 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.328 170.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.0 -34.5 78.24 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.602 0.761 . . . . 0.0 110.457 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 m -72.09 -36.57 69.54 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.716 0.806 . . . . 0.0 110.879 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 20.5 mm-40 -60.28 -34.93 74.44 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.321 172.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -71.46 -34.11 69.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.184 0.593 . . . . 0.0 111.826 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.52 -39.05 86.38 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.404 0.682 . . . . 0.0 111.607 -173.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.12 -29.66 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.4 p -81.25 21.93 0.71 Allowed 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m80 . . . . . 0 C--O 1.251 1.144 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 165.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 mmt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -57.2 92.74 0.03 OUTLIER Glycine 0 C--N 1.352 1.461 0 O-C-N 123.892 0.745 . . . . 0.0 114.344 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -95.7 97.12 9.47 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 172.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -89.54 69.37 7.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 113.553 -1.658 . . . . 0.0 110.363 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -103.2 123.8 47.41 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 168.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.7 t -81.42 89.07 6.1 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.601 0.36 . . . . 0.0 110.354 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -55.27 -31.81 61.86 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -54.36 -56.29 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 123.988 0.915 . . . . 0.0 111.798 -173.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.53 -26.87 14.28 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.253 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 m 91.54 17.76 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 126.896 2.078 . . . . 0.0 112.33 172.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.0 mmt-85 -102.35 174.27 5.99 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.556 0.743 . . . . 0.0 111.558 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -137.69 165.91 25.23 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.725 0.774 . . . . 0.0 112.737 -171.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -79.03 -174.72 4.2 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.494 1.518 . . . . 0.0 113.454 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -120.52 -53.45 2.11 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 175.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -118.19 163.37 16.75 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.884 1.274 . . . . 0.0 109.223 170.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.73 -43.18 80.39 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -168.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -70.41 -18.25 63.02 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.152 0.581 . . . . 0.0 111.067 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.1 -45.69 95.54 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.441 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -43.04 91.38 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 30.1 mmm180 -58.25 -53.61 56.29 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 124.526 1.141 . . . . 0.0 111.396 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -56.35 -48.92 75.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.409 1.084 . . . . 0.0 110.835 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -59.89 -33.77 72.28 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.961 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 tp -74.16 -32.44 63.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 111.508 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 20' ' ' ARG . 94.7 mt-30 -78.81 -38.29 38.61 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.252 0.621 . . . . 0.0 110.152 -178.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.9 p -79.4 -3.49 46.63 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.952 0.901 . . . . 0.0 111.875 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.49 2.37 0.43 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -179.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -68.34 -20.08 64.7 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 118.418 0.554 . . . . 0.0 110.667 176.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.86 -166.52 42.22 Favored Glycine 0 C--N 1.357 1.736 0 CA-C-O 119.718 -0.49 . . . . 0.0 113.237 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -87.35 141.54 5.84 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 123.113 2.542 . . . . 0.0 114.14 -172.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.69 33.14 5.35 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.82 1.248 . . . . 0.0 108.247 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -81.81 146.56 29.84 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.43 1.492 . . . . 0.0 111.6 -169.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -101.6 122.13 43.28 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -79.94 115.48 19.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.192 0.597 . . . . 0.0 112.123 -164.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 35.9 ttm -97.5 144.96 26.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.184 1.394 . . . . 0.0 108.295 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.608 ' HA ' HD23 ' A' ' 48' ' ' LEU . 31.7 t -66.22 138.58 96.07 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -65.62 -50.4 1.84 Allowed 'Trans proline' 0 C--N 1.372 1.809 0 C-N-CA 122.651 2.234 . . . . 0.0 112.96 172.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.2 mt -78.01 -54.96 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -164.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.9 p -107.14 -40.61 5.38 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 118.046 0.385 . . . . 0.0 110.909 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 35' ' ' CYS . . . 99.32 39.74 3.41 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 116.922 1.529 . . . . 0.0 116.922 156.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.8 152.76 22.77 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 117.518 0.659 . . . . 0.0 110.469 166.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -88.05 139.7 30.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.904 0.881 . . . . 0.0 111.337 -172.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -123.17 151.71 62.48 Favored Pre-proline 0 N--CA 1.474 0.775 0 C-N-CA 123.876 0.87 . . . . 0.0 109.445 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.12 -41.22 76.62 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 123.067 2.512 . . . . 0.0 113.103 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.9 m -153.44 175.08 13.56 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.019 0.528 . . . . 0.0 110.339 -169.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.4 tp -85.68 56.98 4.21 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.008 0.923 . . . . 0.0 110.541 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -136.86 -56.07 0.73 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.4 p -68.99 -33.98 74.55 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.108 0.963 . . . . 0.0 111.206 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' ' 35' ' ' CYS . 2.8 tm? -62.8 -44.33 96.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.155 0.582 . . . . 0.0 110.423 174.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.9 m -65.91 -41.82 90.97 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.462 0.705 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.63 -46.51 84.04 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.519 0.728 . . . . 0.0 110.384 175.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -66.67 -41.14 88.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.796 0.839 . . . . 0.0 111.974 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.47 -43.17 99.47 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.083 0.953 . . . . 0.0 112.209 -172.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.422 HG23 HG21 ' A' ' 54' ' ' THR . 29.8 m -77.98 -32.31 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 122.892 0.477 . . . . 0.0 111.921 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.422 HG21 HG23 ' A' ' 53' ' ' VAL . 70.5 p -94.5 35.35 1.22 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.955 0.902 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 . . . . . 0 CA--C 1.558 1.253 0 C-N-CA 122.797 0.439 . . . . 0.0 110.499 -165.62 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.419 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.23 166.8 8.08 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-O 118.944 -0.92 . . . . 0.0 111.452 163.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 m -72.38 93.74 1.55 Allowed 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 122.912 1.339 . . . . 0.0 110.435 -169.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -104.13 86.39 2.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 112.357 -2.201 . . . . 0.0 108.198 166.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -113.99 141.93 46.79 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.104 1.362 . . . . 0.0 108.865 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.7 t -83.82 109.78 17.82 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 167.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -35.09 79.53 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.399 0.68 . . . . 0.0 110.779 -177.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.56 -43.75 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.804 0.842 . . . . 0.0 111.562 -177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.2 m -87.23 -31.27 20.38 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.65 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m 77.65 10.7 2.22 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 126.693 1.997 . . . . 0.0 111.157 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -110.73 -174.57 2.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.052 0.941 . . . . 0.0 110.37 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 t -140.81 170.41 15.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.586 0.755 . . . . 0.0 110.105 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.419 ' HD1' ' H ' ' A' ' 15' ' ' SER . 5.5 t80 -113.74 150.85 32.77 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.969 0.908 . . . . 0.0 109.126 175.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.58 -35.58 74.57 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.007 0.923 . . . . 0.0 111.677 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.419 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 36.1 p -105.81 137.24 44.01 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 172.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.99 -28.03 60.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.41 0.284 . . . . 0.0 110.51 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -75.55 -35.47 60.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.237 0.615 . . . . 0.0 109.435 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.54 -32.33 83.86 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.051 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.01 -43.9 90.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.995 0.918 . . . . 0.0 110.313 172.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HD2' HD13 ' A' ' 23' ' ' LEU . 22.3 mmm180 -61.84 -34.79 76.6 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.881 0.872 . . . . 0.0 112.352 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -72.18 -38.69 69.05 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.614 0.721 . . . . 0.0 109.971 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -67.05 -30.32 70.36 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.761 1.224 . . . . 0.0 110.595 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD13 ' HD2' ' A' ' 20' ' ' ARG . 16.3 mt -61.35 -27.3 68.41 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.984 0.914 . . . . 0.0 112.415 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -77.94 -13.91 59.72 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.214 1.006 . . . . 0.0 111.583 -173.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.0 p -76.26 -4.24 40.9 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 123.378 0.671 . . . . 0.0 111.274 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -121.74 -2.12 9.38 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.5 0.72 . . . . 0.0 111.166 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -56.44 -38.55 71.77 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.205 1.002 . . . . 0.0 111.986 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.6 -151.2 23.35 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-O 118.877 -0.957 . . . . 0.0 111.479 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 137.03 78.0 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.18 2.586 . . . . 0.0 111.148 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.63 -10.24 14.11 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.313 0.645 . . . . 0.0 112.128 -170.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -89.33 104.95 17.46 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.445 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 11.5 p80 -152.98 101.75 2.61 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -76.12 135.38 39.83 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.6 ttp -93.08 113.57 25.87 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 19.6 t -59.8 127.47 85.32 Favored Pre-proline 0 CA--C 1.55 0.976 0 O-C-N 123.629 0.581 . . . . 0.0 111.558 -173.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -47.96 -48.36 16.5 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.65 2.9 . . . . 0.0 114.607 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.5 mt -84.7 -54.99 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.435 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 12.2 p -109.32 -7.16 15.28 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -166.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.417 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 61.51 25.09 64.71 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 116.332 1.293 . . . . 0.0 116.332 173.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.435 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 15.0 mm-40 -68.88 149.73 48.57 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.696 0.799 . . . . 0.0 111.368 169.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -93.4 124.62 37.51 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.917 0.887 . . . . 0.0 109.557 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 32' ' ' HIS . 41.3 m-85 -123.28 139.9 32.71 Favored Pre-proline 0 N--CA 1.481 1.11 0 C-N-CA 123.219 0.608 . . . . 0.0 109.793 174.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -67.1 -4.02 10.81 Favored 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 123.957 3.104 . . . . 0.0 114.168 -171.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 p -153.44 164.48 38.11 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.9 0.857 . . . . 0.0 111.108 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.79 42.75 1.1 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.035 -1.438 . . . . 0.0 109.445 170.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -145.03 -51.29 0.27 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 -170.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.9 p -62.34 -38.87 91.17 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.722 167.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.7 -37.36 86.23 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 123.689 0.618 . . . . 0.0 109.952 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.7 m -64.29 -41.25 96.97 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.403 0.681 . . . . 0.0 110.907 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' HG21 ' A' ' 54' ' ' THR . 41.2 mt-10 -64.75 -42.93 94.78 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.873 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -65.41 -44.56 87.06 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.433 1.093 . . . . 0.0 112.572 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -66.21 -33.89 76.77 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.39 0.676 . . . . 0.0 112.398 -171.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.82 -30.45 21.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 122.595 0.358 . . . . 0.0 111.816 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.404 HG21 ' O ' ' A' ' 50' ' ' GLU . 15.2 t -102.72 34.54 2.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.105 0.962 . . . . 0.0 110.555 -178.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 . . . . . 0 CA--C 1.557 1.24 0 C-N-CA 123.126 0.57 . . . . 0.0 111.135 -162.887 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 mtm . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.437 ' HA2' ' H ' ' A' ' 16' ' ' GLU . . . 67.64 39.51 90.54 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 113.052 175.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -158.67 107.17 1.92 Allowed 'General case' 0 C--N 1.346 0.452 0 C-N-CA 122.647 0.379 . . . . 0.0 110.294 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -129.5 161.23 30.91 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 167.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -90.19 126.37 35.79 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.58 0.627 . . . . 0.0 110.064 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 t -87.33 86.69 7.28 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 170.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -11.22 -64.91 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 127.391 2.276 . . . . 0.0 115.982 -177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.1 t -64.37 -54.21 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.081 0.953 . . . . 0.0 111.312 -175.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.4 m -58.3 -43.1 87.92 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.792 0.837 . . . . 0.0 111.803 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 m 67.71 15.41 9.68 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.367 1.467 . . . . 0.0 111.232 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -117.09 176.75 4.99 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.936 1.295 . . . . 0.0 108.894 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -133.17 154.25 50.8 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.967 0.907 . . . . 0.0 110.447 -172.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -100.83 149.26 24.03 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.707 1.203 . . . . 0.0 109.216 172.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -53.57 -24.77 14.64 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.834 0.854 . . . . 0.0 112.657 174.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.1 t -109.58 135.74 50.08 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 166.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' H ' ' HA2' ' A' ' 2' ' ' GLY . 9.6 pt-20 -79.47 -29.95 41.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.207 0.603 . . . . 0.0 110.276 176.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.87 -36.73 75.71 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.02 -29.92 62.02 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.258 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.12 -50.37 61.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.161 0.984 . . . . 0.0 110.618 172.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -58.73 -42.52 88.94 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.721 0.809 . . . . 0.0 111.701 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HA ' HE21 ' A' ' 24' ' ' GLN . 43.1 tt0 -60.19 -42.62 95.44 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.614 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -67.29 -38.34 84.88 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.515 1.126 . . . . 0.0 111.597 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.05 -35.32 76.6 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.971 0.908 . . . . 0.0 111.082 -171.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 21' ' ' GLU . 39.8 mt-30 -69.22 -18.75 63.93 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.627 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 p -73.64 -8.67 56.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.061 0.545 . . . . 0.0 112.018 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -82.33 -24.73 34.44 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.148 0.499 . . . . 0.0 110.419 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -89.08 -29.56 19.32 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 165.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.22 151.81 12.24 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.209 -174.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -61.96 155.35 55.78 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.826 2.351 . . . . 0.0 112.152 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.3 53.02 1.42 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.261 0.553 . . . . 0.0 110.781 173.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 90.9 mttt -141.94 153.3 44.26 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.977 1.311 . . . . 0.0 109.492 -176.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 58.62 71.97 0.55 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.147 0.979 . . . . 0.0 110.77 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -117.51 122.35 43.49 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.793 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.2 ttt -94.54 141.18 28.89 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.498 ' HA ' HD23 ' A' ' 48' ' ' LEU . 33.9 t -66.92 139.4 95.6 Favored Pre-proline 0 CA--C 1.552 1.031 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.55 -43.2 2.11 Favored 'Trans proline' 0 C--N 1.37 1.658 0 C-N-CA 122.099 1.866 . . . . 0.0 112.906 173.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 mt -78.39 -53.34 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -166.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.5 p -111.17 -39.62 4.69 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 118.148 0.431 . . . . 0.0 111.435 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.64 40.72 3.8 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 116.21 1.244 . . . . 0.0 116.21 158.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.54 160.13 17.6 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 117.479 0.639 . . . . 0.0 110.071 164.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -81.22 143.87 32.0 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.116 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.584 ' HB3' ' HG1' ' A' ' 47' ' ' THR . 81.3 m-85 -130.75 148.4 70.0 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.24 1.016 . . . . 0.0 110.134 172.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.26 -22.25 53.63 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.941 2.428 . . . . 0.0 113.226 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.631 ' HA ' ' HA ' ' A' ' 31' ' ' LYS . 58.5 p -162.44 168.26 22.31 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -172.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -86.78 57.27 4.41 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 122.704 1.24 . . . . 0.0 108.992 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 6.2 mp -146.26 -51.05 0.22 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 105.52 -2.029 . . . . 0.0 105.52 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.584 ' HG1' ' HB3' ' A' ' 42' ' ' PHE . 82.0 p -72.57 -38.69 67.84 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.062 173.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 35' ' ' CYS . 3.2 tm? -61.53 -34.67 75.94 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.54 0.736 . . . . 0.0 110.207 170.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.5 m -63.98 -46.96 82.29 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.909 0.884 . . . . 0.0 111.346 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 45.4 mt-10 -64.12 -34.54 78.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.352 0.661 . . . . 0.0 110.59 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.27 -46.38 80.7 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.391 1.076 . . . . 0.0 111.142 173.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.79 -44.92 95.92 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.973 1.309 . . . . 0.0 113.527 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.51 -21.64 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -169.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.1 p -120.7 -57.54 1.89 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.227 0.611 . . . . 0.0 110.428 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 CA--C 1.559 1.315 0 C-N-CA 126.056 1.742 . . . . 0.0 112.255 178.245 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 10' ' ' SER . 38.6 ttpt . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.1 t -60.71 -39.98 90.55 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -172.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.14 -49.63 0.54 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 126.144 1.778 . . . . 0.0 110.795 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -59.75 -53.48 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.8 0.84 . . . . 0.0 109.674 174.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.1 -50.31 9.79 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 171.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.404 ' O ' ' HD2' ' A' ' 5' ' ' LYS . 34.5 t 70.3 -0.97 2.64 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.215 1.406 . . . . 0.0 112.356 -174.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -116.13 5.18 13.73 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -172.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -151.15 141.8 22.69 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -170.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.515 ' HB3' HD23 ' A' ' 19' ' ' LEU . 14.5 p90 -169.26 144.48 3.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 128.146 2.578 . . . . 0.0 107.275 162.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -82.43 -32.24 29.1 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 p -172.06 -171.09 0.82 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.697 1.599 . . . . 0.0 107.755 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.6 -42.67 82.07 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.924 0.784 . . . . 0.0 108.891 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -69.95 -36.73 75.5 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.705 0.802 . . . . 0.0 109.475 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.32 -46.17 93.28 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 113.944 -1.48 . . . . 0.0 112.204 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 13' ' ' PHE . 1.3 tm? -65.61 -39.76 91.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.796 0.838 . . . . 0.0 112.343 176.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -56.41 -50.54 71.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.425 0.69 . . . . 0.0 110.816 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.58 -44.05 96.65 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.731 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -68.67 -26.78 65.48 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.089 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.33 -34.34 76.46 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 122.104 -0.373 . . . . 0.0 111.06 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -75.58 -15.01 60.41 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.93 0.892 . . . . 0.0 112.768 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 p -64.22 -15.84 60.81 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.212 0.605 . . . . 0.0 111.905 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 . . . . . 0 N--CA 1.476 0.856 0 C-N-CA 123.177 0.591 . . . . 0.0 111.192 -176.802 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.3 t80 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 43.8 ttm -103.86 137.64 41.58 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.545 ' HA ' HD11 ' A' ' 48' ' ' LEU . 42.1 t -65.97 138.07 96.17 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 123.277 0.631 . . . . 0.0 112.55 -171.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' HD11 ' A' ' 48' ' ' LEU . 33.1 Cg_exo -62.85 -45.53 13.07 Favored 'Trans proline' 0 C--N 1.372 1.778 0 C-N-CA 122.519 2.146 . . . . 0.0 112.07 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.68 -54.37 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -170.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 p -118.36 0.04 11.58 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.523 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 68.14 16.13 68.41 Favored Glycine 0 N--CA 1.477 1.397 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -65.07 143.75 57.71 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 117.344 0.572 . . . . 0.0 110.67 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.56 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -111.47 131.77 54.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.616 0.766 . . . . 0.0 109.814 -170.499 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -130.04 152.66 80.4 Favored Pre-proline 0 N--CA 1.474 0.725 0 C-N-CA 123.924 0.89 . . . . 0.0 109.631 -176.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.72 3.93 2.03 Favored 'Trans proline' 0 C--N 1.38 2.197 0 C-N-CA 123.372 2.715 . . . . 0.0 115.603 -170.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.0 p -161.71 169.37 21.62 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.548 0.689 . . . . 0.0 111.715 173.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -88.41 62.92 6.85 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 167.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -162.18 -55.22 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.6 p -62.65 -40.36 96.79 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.573 168.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.545 HD11 ' HA ' ' A' ' 35' ' ' CYS . 2.0 tm? -63.32 -39.06 93.51 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.588 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 m -66.79 -40.58 88.17 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.417 0.687 . . . . 0.0 111.338 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.6 -44.51 93.8 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.605 0.762 . . . . 0.0 110.795 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -59.8 -39.57 85.4 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.777 0.831 . . . . 0.0 111.251 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -62.61 -50.68 70.28 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.189 0.996 . . . . 0.0 110.503 -174.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.41 -40.36 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -172.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.8 p -90.71 13.8 15.15 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.15 0.58 . . . . 0.0 111.615 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER . . . . . 0 CA--C 1.564 1.486 0 C-N-CA 125.918 1.687 . . . . 0.0 113.905 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.2 t -75.07 117.57 17.06 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.63 -29.09 66.5 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 122.785 0.434 . . . . 0.0 111.514 -172.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.77 -49.48 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.32 0.648 . . . . 0.0 110.891 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.0 m -87.18 -26.88 23.34 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.04 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m 73.77 16.61 3.76 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.775 1.63 . . . . 0.0 111.559 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -110.55 177.95 4.53 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.178 0.991 . . . . 0.0 110.14 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -130.06 152.69 49.23 Favored 'General case' 0 C--O 1.243 0.734 0 C-N-CA 123.551 0.74 . . . . 0.0 109.963 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' HD1' ' H ' ' A' ' 15' ' ' SER . 13.6 t80 -110.14 142.12 42.09 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 171.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -65.62 -6.94 12.61 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.556 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 78.0 p -129.66 147.18 51.43 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 123.885 0.874 . . . . 0.0 109.826 170.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -55.43 -53.64 53.75 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.908 0.483 . . . . 0.0 109.855 168.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -61.06 -29.65 69.86 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.778 0.831 . . . . 0.0 111.789 -174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.38 -43.85 23.74 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.38 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.16 -48.83 74.47 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.078 0.551 . . . . 0.0 110.726 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -55.96 -35.3 66.55 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.97 0.908 . . . . 0.0 111.951 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -69.08 -40.8 78.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.051 0.94 . . . . 0.0 110.71 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -67.06 -41.58 86.2 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.793 1.237 . . . . 0.0 111.786 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.29 -31.46 69.14 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.382 1.473 . . . . 0.0 111.106 -176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.15 -18.43 47.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.558 1.143 . . . . 0.0 113.631 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -79.7 -26.47 40.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.448 0.699 . . . . 0.0 110.401 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 . . . . . 0 N--CA 1.48 1.075 0 C-N-CA 123.624 0.77 . . . . 0.0 110.227 175.497 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 p90 . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 123.087 1.422 . . . . 0.0 107.977 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 55.9 ttp -131.18 122.04 25.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 113.632 -1.622 . . . . 0.0 106.743 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 42.7 t -75.16 122.72 87.98 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-O 119.227 -0.416 . . . . 0.0 109.912 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.48 -36.92 98.04 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.937 2.425 . . . . 0.0 113.965 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.5 mt -83.87 -55.8 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.438 ' SG ' ' HG3' ' A' ' 40' ' ' GLU . 10.2 p -120.18 -0.01 10.58 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -168.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.482 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 61.89 24.51 64.76 Favored Glycine 0 N--CA 1.475 1.269 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 169.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG3' ' SG ' ' A' ' 38' ' ' CYS . 39.8 mt-10 -65.01 135.23 55.38 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 120.872 0.368 . . . . 0.0 111.983 171.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -95.16 137.57 34.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.726 1.21 . . . . 0.0 109.902 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.409 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 89.1 m-85 -124.44 157.78 63.84 Favored Pre-proline 0 N--CA 1.48 1.043 0 C-N-CA 123.457 0.703 . . . . 0.0 111.283 -175.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -63.63 -14.52 43.18 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.565 2.177 . . . . 0.0 112.96 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 p -152.05 172.66 15.95 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 123.604 0.762 . . . . 0.0 111.215 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 tp -95.57 54.33 1.56 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 166.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -137.25 -54.77 0.7 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 42' ' ' PHE . 1.2 p -61.0 -36.06 78.49 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.699 171.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.73 -37.48 84.75 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.304 0.642 . . . . 0.0 110.684 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 m -66.52 -47.07 74.11 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.502 0.721 . . . . 0.0 110.564 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -59.72 -47.9 83.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.027 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -63.27 -36.7 84.52 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.044 0.938 . . . . 0.0 111.979 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -61.41 -49.96 74.78 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.008 0.923 . . . . 0.0 110.318 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.532 HG23 HG23 ' A' ' 54' ' ' THR . 30.0 m -78.27 -39.63 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.532 HG23 HG23 ' A' ' 53' ' ' VAL . 70.5 p -90.15 36.12 0.87 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.894 0.878 . . . . 0.0 111.051 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 . . . . . 0 CA--C 1.552 1.057 0 C-N-CA 123.262 0.625 . . . . 0.0 110.393 -161.698 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 121.205 0.526 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.464 ' HB2' HD21 ' A' ' 19' ' ' LEU . 42.4 t -96.35 107.64 20.04 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 170.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -53.68 -46.96 70.83 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.828 0.851 . . . . 0.0 112.633 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.79 -58.18 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.585 0.754 . . . . 0.0 112.132 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.5 m -66.04 -35.32 80.22 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.055 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 p 82.42 -11.37 1.01 Allowed 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 127.824 2.449 . . . . 0.0 110.684 -168.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -92.32 -175.49 4.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.615 1.166 . . . . 0.0 110.04 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 t -151.31 160.26 43.88 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.111 0.564 . . . . 0.0 110.853 -176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.714 ' HD1' ' H ' ' A' ' 15' ' ' SER . 5.3 t80 -93.74 151.51 19.58 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -69.75 -27.49 64.99 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.142 0.577 . . . . 0.0 111.578 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.714 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 30.5 t -99.85 150.95 21.84 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.999 1.32 . . . . 0.0 109.585 172.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -37.27 56.52 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.238 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -75.11 -42.23 56.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.74 0.816 . . . . 0.0 109.357 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.58 -37.63 33.92 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 114.943 -1.026 . . . . 0.0 114.241 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.0 tm? -68.53 -38.59 80.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.603 0.761 . . . . 0.0 110.577 176.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -60.32 -41.08 92.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.63 0.581 . . . . 0.0 111.478 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.98 -42.17 76.93 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.225 0.536 . . . . 0.0 110.761 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.09 -27.09 66.71 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.549 1.139 . . . . 0.0 111.888 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -67.98 -20.95 65.09 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.824 0.85 . . . . 0.0 111.231 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -72.24 -20.9 61.47 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.564 0.745 . . . . 0.0 112.081 -176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.9 p -72.51 -8.05 53.12 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.552 0.741 . . . . 0.0 112.022 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 123.367 0.667 . . . . 0.0 112.051 -173.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 C--O 1.239 0.525 0 CA-C-O 121.164 0.507 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.3 ttm -119.84 142.17 48.87 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.899 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' N ' HD21 ' A' ' 48' ' ' LEU . 7.9 t -59.47 131.22 88.03 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 124.65 1.18 . . . . 0.0 112.731 -176.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -60.47 -43.22 34.91 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 123.085 2.523 . . . . 0.0 113.658 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.93 -53.85 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.3 p -125.31 10.07 7.97 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -173.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.86 41.03 97.53 Favored Glycine 0 N--CA 1.478 1.458 0 N-CA-C 119.026 2.37 . . . . 0.0 119.026 161.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -72.46 130.16 40.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.584 0.754 . . . . 0.0 109.65 162.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -90.2 129.19 36.49 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.324 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -122.7 151.62 60.72 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 123.913 0.885 . . . . 0.0 110.137 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.36 -14.73 45.42 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 123.382 2.722 . . . . 0.0 113.804 -176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 p -151.58 164.0 37.83 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.518 0.675 . . . . 0.0 111.717 -176.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.27 57.46 4.04 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 85.3 mt -146.63 -55.95 0.26 Allowed 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.9 p -71.25 -37.92 71.94 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 113.802 -1.544 . . . . 0.0 111.544 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 35' ' ' CYS . 3.0 tm? -61.79 -43.81 98.12 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.552 0.741 . . . . 0.0 110.024 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.0 m -63.23 -41.69 99.14 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 124.105 0.878 . . . . 0.0 111.426 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 46.9 mt-10 -58.15 -42.54 86.12 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.559 0.744 . . . . 0.0 111.208 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -64.82 -42.03 95.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.723 0.64 . . . . 0.0 111.136 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 39.6 ttpt -67.71 -37.63 82.52 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.405 -173.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.9 m -76.85 -28.48 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 122.461 0.304 . . . . 0.0 111.663 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.8 p -87.98 12.97 11.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.143 0.577 . . . . 0.0 112.183 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.56 1.331 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.243 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 C--O 1.238 0.457 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.88 97.59 1.44 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -56.34 -36.99 69.37 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.236 1.014 . . . . 0.0 112.499 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.44 -47.7 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.705 0.802 . . . . 0.0 111.293 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.9 m -85.67 -33.4 21.58 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.291 0.636 . . . . 0.0 111.602 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t 77.44 11.62 2.18 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 126.694 1.998 . . . . 0.0 111.579 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.2 149.91 22.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.144 0.977 . . . . 0.0 110.251 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -93.87 155.52 17.14 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.645 0.736 . . . . 0.0 111.658 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -81.61 -175.12 5.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.561 169.292 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -125.93 -52.17 1.55 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 171.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.8 p -116.3 153.56 31.73 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 125.037 1.335 . . . . 0.0 108.123 171.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.25 -33.82 76.61 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.659 0.384 . . . . 0.0 111.322 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -73.51 -26.13 60.75 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.13 -38.99 96.74 Favored Glycine 0 C--N 1.353 1.512 0 O-C-N 123.91 0.756 . . . . 0.0 112.244 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.08 -48.8 78.56 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.965 0.506 . . . . 0.0 109.805 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -60.92 -31.24 70.77 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.224 0.952 . . . . 0.0 112.309 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -67.38 -48.95 65.89 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.047 0.939 . . . . 0.0 109.269 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -68.56 -28.36 66.89 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.084 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.45 -33.91 70.26 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.863 1.265 . . . . 0.0 112.285 -173.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -74.91 -19.25 60.21 Favored 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.538 -169.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.1 p -76.86 -9.4 58.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.05 0.54 . . . . 0.0 112.182 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 N--CA 1.484 1.272 0 C-N-CA 123.079 0.552 . . . . 0.0 110.74 176.957 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--O 1.242 0.702 0 CA-C-O 122.597 1.189 . . . . 0.0 107.831 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.5 ttt -134.11 134.55 42.38 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 113.721 -1.581 . . . . 0.0 107.456 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 40' ' ' GLU . 10.0 t -60.42 132.48 90.73 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.744 0.818 . . . . 0.0 112.118 -176.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -66.2 -39.45 18.0 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.564 2.176 . . . . 0.0 112.965 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.8 mt -80.75 -52.61 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -128.82 8.47 5.75 Favored 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.61 39.72 97.88 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 118.616 2.206 . . . . 0.0 118.616 162.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 19.0 mp0 -70.89 125.06 25.81 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.513 0.725 . . . . 0.0 110.54 166.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 140.59 29.4 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 168.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -118.36 175.93 1.88 Allowed Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 123.328 0.651 . . . . 0.0 111.826 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.98 -39.87 47.42 Favored 'Trans proline' 0 C--N 1.392 2.852 0 C-N-CA 122.608 2.205 . . . . 0.0 112.96 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.6 m -155.15 176.49 12.48 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.656 0.782 . . . . 0.0 110.442 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 tp -85.99 76.15 9.87 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.703 0.801 . . . . 0.0 109.96 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -156.71 -53.36 0.08 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.4 p -67.74 -25.49 65.66 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.643 174.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.91 -41.05 87.76 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.778 0.674 . . . . 0.0 110.257 172.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.6 m -65.51 -42.63 91.85 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.115 0.966 . . . . 0.0 110.541 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -62.83 -42.15 99.62 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.849 -1.068 . . . . 0.0 111.228 176.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -62.5 -34.76 77.52 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.108 0.563 . . . . 0.0 111.593 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -67.12 -42.29 84.75 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 123.865 0.728 . . . . 0.0 111.624 -177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.19 -36.18 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.03 0 C-N-CA 123.015 0.526 . . . . 0.0 112.006 -175.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.5 p -97.95 38.48 1.3 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.942 0.897 . . . . 0.0 110.895 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 CA--C 1.559 1.298 0 C-N-CA 122.71 0.404 . . . . 0.0 111.457 -165.19 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.466 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.83 103.88 10.97 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -42.45 -54.29 3.92 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.943 1.697 . . . . 0.0 113.665 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.11 -45.77 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 124.106 0.879 . . . . 0.0 111.448 -173.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.4 m -81.85 -34.23 30.25 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.354 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p 76.6 2.13 3.38 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 128.712 2.805 . . . . 0.0 112.957 -170.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -84.1 149.84 25.95 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.956 0.902 . . . . 0.0 110.599 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 t -91.54 162.03 14.7 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.751 0.82 . . . . 0.0 112.25 -174.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -178.83 6.89 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.255 169.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -135.56 -42.65 0.69 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 166.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -110.84 139.2 46.36 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.745 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.3 -36.83 79.92 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.226 0.61 . . . . 0.0 111.748 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -74.23 -25.73 59.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.332 0.653 . . . . 0.0 110.372 176.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.03 -40.72 98.45 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 124.004 0.815 . . . . 0.0 113.21 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.59 -46.82 87.82 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.338 0.59 . . . . 0.0 109.924 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -68.25 -30.85 69.98 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.609 -175.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -71.78 -46.19 59.15 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.062 0.945 . . . . 0.0 109.859 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -62.3 -27.05 68.77 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.195 -1.366 . . . . 0.0 111.602 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -59.24 -20.25 52.52 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.705 0.802 . . . . 0.0 113.159 -174.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -76.57 -22.66 53.99 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.016 0.927 . . . . 0.0 112.124 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 p -61.73 -23.73 66.34 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.446 1.099 . . . . 0.0 113.936 -168.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 C-N-CA 123.348 0.659 . . . . 0.0 111.485 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 121.332 0.586 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.4 ttp -97.52 141.86 30.06 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.645 1.178 . . . . 0.0 109.374 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.402 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 2.8 t -62.42 133.22 94.5 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 123.925 0.89 . . . . 0.0 111.544 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.1 -44.12 47.0 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 123.014 2.476 . . . . 0.0 113.543 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.7 mt -89.73 -54.86 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.21 0 N-CA-C 113.061 0.764 . . . . 0.0 113.061 -168.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 19.0 p -120.92 9.32 10.6 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.41 34.94 91.31 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 118.307 2.083 . . . . 0.0 118.307 163.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' N ' ' HB3' ' A' ' 35' ' ' CYS . 20.7 mp0 -70.16 126.01 28.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.228 1.011 . . . . 0.0 110.305 164.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' H ' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -88.61 132.55 34.5 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 174.77 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -124.22 154.84 68.73 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 123.867 0.867 . . . . 0.0 110.565 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -63.01 -22.59 73.82 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 123.136 2.557 . . . . 0.0 114.631 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.7 p -149.06 165.5 31.51 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.362 0.601 . . . . 0.0 111.697 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tt -88.85 60.12 5.36 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 172.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 3.9 tt -158.22 -54.71 0.07 Allowed 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 p -63.2 -43.02 99.35 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 123.975 0.797 . . . . 0.0 110.818 171.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.5 -36.82 83.74 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.265 0.626 . . . . 0.0 109.901 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -65.64 -41.59 92.44 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.962 0.789 . . . . 0.0 111.361 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 16.7 mm-40 -58.23 -43.15 87.63 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.386 0.674 . . . . 0.0 110.85 176.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -68.89 -34.57 75.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.25 0.62 . . . . 0.0 110.895 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.55 -43.78 68.81 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.992 0.917 . . . . 0.0 111.909 -176.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.493 HG23 HG23 ' A' ' 54' ' ' THR . 34.6 m -78.19 -42.77 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 123.124 0.569 . . . . 0.0 112.177 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.493 HG23 HG23 ' A' ' 53' ' ' VAL . 74.8 p -97.96 29.4 3.47 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.278 0.631 . . . . 0.0 110.317 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 CA--C 1.556 1.2 0 C-N-CA 124.477 1.111 . . . . 0.0 112.11 176.679 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp . . . . . 0 C--O 1.241 0.633 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.5 104.05 0.11 Allowed 'General case' 0 C--O 1.21 -0.987 0 C-N-CA 124.322 1.049 . . . . 0.0 112.307 -169.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -58.42 -21.51 51.06 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -75.92 -58.21 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 C-N-CA 123.399 0.68 . . . . 0.0 110.801 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.4 m -89.6 -51.27 5.61 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 122.993 0.517 . . . . 0.0 111.219 -175.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 m 78.27 8.89 2.22 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.482 1.913 . . . . 0.0 112.424 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -59.61 -54.05 50.91 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -178.09 179.15 0.86 Allowed 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.525 0.679 . . . . 0.0 112.482 -160.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -168.35 152.7 6.1 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.841 2.056 . . . . 0.0 106.92 168.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -83.98 -52.01 6.67 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 t -149.71 -171.78 3.98 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 113.556 -1.656 . . . . 0.0 107.066 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.67 -35.91 81.18 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 118.488 0.585 . . . . 0.0 109.703 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -72.54 -33.68 67.0 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.753 0.821 . . . . 0.0 109.491 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.37 -46.35 91.92 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.998 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.86 -40.75 97.28 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.106 0.562 . . . . 0.0 111.68 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -58.12 -40.95 82.54 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.064 0.546 . . . . 0.0 111.71 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.85 -45.06 94.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.702 0.801 . . . . 0.0 109.584 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -65.37 -34.27 77.92 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.286 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.8 -22.09 63.79 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.205 1.002 . . . . 0.0 112.044 -171.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -64.57 -13.96 55.4 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.762 1.225 . . . . 0.0 113.441 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.1 p -71.45 -14.01 62.01 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.076 0.55 . . . . 0.0 110.443 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 . . . . . 0 N--CA 1.479 0.99 0 C-N-CA 124.334 1.054 . . . . 0.0 110.387 -178.026 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.431 ' HD2' ' HG ' ' A' ' 48' ' ' LEU . 3.6 t80 . . . . . 0 C--O 1.243 0.717 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 54.9 ttp -106.39 129.65 54.35 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.041 1.336 . . . . 0.0 107.459 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.493 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 36.4 t -61.77 129.06 91.25 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 122.305 0.242 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.36 -28.48 71.79 Favored 'Trans proline' 0 C--N 1.367 1.533 0 C-N-CA 122.429 2.086 . . . . 0.0 112.797 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.6 mt -94.62 -51.41 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.5 p -131.24 15.48 5.08 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.493 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 43.54 36.92 3.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 120.491 2.957 . . . . 0.0 120.491 161.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.73 156.18 25.13 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 118.773 1.287 . . . . 0.0 110.476 165.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -83.39 126.43 32.72 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.981 0.912 . . . . 0.0 111.026 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -119.91 141.85 32.13 Favored Pre-proline 0 N--CA 1.481 1.099 0 C-N-CA 123.144 0.578 . . . . 0.0 110.216 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -69.47 -6.06 17.54 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 123.52 2.813 . . . . 0.0 114.374 -174.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -154.38 167.99 28.13 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.77 0.795 . . . . 0.0 111.665 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.98 47.75 1.44 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 113.891 -1.504 . . . . 0.0 107.466 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 78.0 mt -144.69 -53.38 0.31 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -64.52 -36.31 83.78 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.714 174.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HG ' ' HD2' ' A' ' 33' ' ' TYR . 3.1 tm? -63.16 -40.54 97.84 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.31 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.4 m -64.72 -39.67 94.03 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.75 0.82 . . . . 0.0 111.44 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 35.4 mm-40 -59.66 -46.31 89.4 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.702 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -61.52 -41.43 97.3 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.12 0.968 . . . . 0.0 111.181 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.53 -35.02 75.07 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.236 1.015 . . . . 0.0 112.811 -172.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.6 m -78.11 -29.05 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 122.465 0.306 . . . . 0.0 111.291 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -95.66 33.96 1.56 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.554 0.741 . . . . 0.0 110.813 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 . . . . . 0 CA--C 1.55 0.968 0 CA-C-O 119.443 -0.313 . . . . 0.0 110.208 -165.773 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.25 93.0 2.79 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 163.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -40.17 -45.19 1.98 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 125.661 1.584 . . . . 0.0 114.874 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -55.69 -45.35 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 123.959 0.904 . . . . 0.0 111.035 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -88.58 -31.78 18.46 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.973 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t 72.41 8.83 5.78 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.292 1.837 . . . . 0.0 111.413 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -107.74 -174.74 2.6 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.499 0.719 . . . . 0.0 110.214 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -148.55 160.25 43.28 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.361 0.6 . . . . 0.0 112.412 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' HD1' ' H ' ' A' ' 15' ' ' SER . 22.0 t80 -99.97 152.06 20.62 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 169.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.21 1.12 1.11 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.563 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 30.0 t -133.82 146.56 50.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.552 1.141 . . . . 0.0 109.237 172.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.3 91.68 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.584 0.552 . . . . 0.0 110.193 173.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -70.91 -27.76 64.02 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.841 0.857 . . . . 0.0 110.104 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.39 -37.89 40.19 Favored Glycine 0 C--N 1.344 0.988 0 O-C-N 123.995 0.81 . . . . 0.0 112.217 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -64.56 -46.4 82.97 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.945 0.898 . . . . 0.0 110.382 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.607 HH21 HD13 ' A' ' 23' ' ' LEU . 2.9 mmp_? -53.93 -48.44 70.22 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.697 0.799 . . . . 0.0 111.257 172.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.29 -26.96 66.8 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.687 0.795 . . . . 0.0 111.431 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -73.3 -46.93 46.75 Favored 'General case' 0 C--O 1.208 -1.081 0 C-N-CA 123.019 0.528 . . . . 0.0 110.134 172.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.607 HD13 HH21 ' A' ' 20' ' ' ARG . 7.0 tt -66.78 -26.29 66.89 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.876 0.87 . . . . 0.0 112.752 -167.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -64.26 -13.81 51.78 Favored 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.1 p -68.7 -25.16 64.64 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.234 0.613 . . . . 0.0 110.53 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 . . . . . 0 N--CA 1.475 0.818 0 C-N-CA 123.353 0.661 . . . . 0.0 109.29 179.071 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 p90 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 28.0 ttt -130.35 122.03 27.11 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 54.0 t -82.82 112.01 34.24 Favored Pre-proline 0 CA--C 1.544 0.746 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 172.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -27.75 -55.8 0.12 Allowed 'Trans proline' 0 C--N 1.391 2.809 1 C-N-CA 126.087 4.525 . . . . 0.0 116.447 -166.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.3 mt -89.98 -49.96 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 C-N-CA 123.218 0.607 . . . . 0.0 111.654 -172.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.842 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -101.2 -41.91 6.54 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -167.467 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.404 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 79.05 39.69 19.02 Favored Glycine 0 C--N 1.354 1.564 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 175.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.842 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 25.7 mm-40 -63.98 123.47 19.08 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 172.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.03 133.81 48.6 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.141 0.977 . . . . 0.0 110.901 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -138.03 154.14 74.02 Favored Pre-proline 0 N--CA 1.482 1.172 0 C-N-CA 123.576 0.75 . . . . 0.0 110.878 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -57.37 -24.29 59.71 Favored 'Trans proline' 0 C--N 1.385 2.456 0 C-N-CA 123.7 2.933 . . . . 0.0 114.139 -176.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.4 m -155.71 166.29 33.96 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.536 0.735 . . . . 0.0 110.401 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -89.06 61.78 5.99 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-O 122.273 1.035 . . . . 0.0 108.582 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -149.96 -55.83 0.17 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -61.37 -36.13 79.37 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.567 172.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.7 -43.64 98.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.106 0.962 . . . . 0.0 110.244 172.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.43 HG23 ' NZ ' ' A' ' 52' ' ' LYS . 21.1 m -65.86 -45.88 80.5 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.622 0.769 . . . . 0.0 111.506 -175.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -59.33 -39.04 81.86 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.12 0.968 . . . . 0.0 111.103 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -70.59 -45.31 65.58 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' NZ ' HG23 ' A' ' 49' ' ' THR . 20.8 pttm -65.4 -34.07 77.45 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -165.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.38 -29.08 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.524 0.73 . . . . 0.0 111.927 -174.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.2 p -75.77 13.28 0.85 Allowed 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -176.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 . . . . . 0 CA--C 1.547 0.837 0 CA-C-O 118.585 -0.721 . . . . 0.0 109.339 173.496 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.5 t -75.31 92.98 2.82 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 172.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -49.24 -38.04 25.38 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 124.861 1.264 . . . . 0.0 113.293 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 t -58.99 -45.54 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.749 0.785 . . . . 0.0 111.138 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.8 m -84.38 -27.7 27.47 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.247 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 p 70.97 11.47 7.03 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.672 2.389 . . . . 0.0 111.744 -169.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -97.35 165.44 12.02 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.253 1.021 . . . . 0.0 111.559 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 t -96.5 160.24 14.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.457 0.703 . . . . 0.0 112.34 -172.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -77.67 -174.99 3.67 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.419 169.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -125.48 -59.19 1.39 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 105.69 -1.966 . . . . 0.0 105.69 170.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 p -109.53 153.75 23.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.191 0.997 . . . . 0.0 108.833 168.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -65.87 -33.18 75.25 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.837 0.455 . . . . 0.0 110.653 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -73.09 -30.74 63.89 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.421 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.33 99.16 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.426 175.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.14 -44.01 92.04 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.086 0.555 . . . . 0.0 110.586 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -60.99 -47.46 86.37 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.592 0.757 . . . . 0.0 112.25 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.54 -42.41 92.28 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.897 0.879 . . . . 0.0 110.626 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -39.3 83.39 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.407 1.083 . . . . 0.0 110.29 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.42 -35.34 69.95 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.422 1.089 . . . . 0.0 111.85 -171.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -72.16 -17.17 61.97 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.019 0.928 . . . . 0.0 112.905 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -9.26 58.52 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.792 0.437 . . . . 0.0 111.281 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 . . . . . 0 N--CA 1.483 1.219 0 C-N-CA 123.015 0.526 . . . . 0.0 111.058 177.549 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 N--CA 1.473 0.716 0 CA-C-O 121.31 0.576 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 56.8 ttp -106.49 133.02 51.81 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.366 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 35.2 t -60.12 116.58 18.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 123.998 0.919 . . . . 0.0 111.571 -176.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -63.54 -25.81 69.87 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 123.046 2.497 . . . . 0.0 112.551 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.3 mt -78.84 -53.91 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 O-C-N 123.558 0.536 . . . . 0.0 112.213 -173.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.497 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 23.3 p -127.25 -39.56 1.89 Allowed 'General case' 0 C--N 1.362 1.114 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 35' ' ' CYS . . . 119.62 49.08 0.32 Allowed Glycine 0 C--N 1.363 2.047 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 157.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 14.7 mp0 -79.69 125.44 29.65 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.669 1.188 . . . . 0.0 110.171 168.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -83.81 123.32 29.77 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.409 ' HD2' HD23 ' A' ' 48' ' ' LEU . 51.4 m-85 -116.93 155.25 49.47 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.342 1.057 . . . . 0.0 110.437 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.08 -22.83 25.58 Favored 'Trans proline' 0 C--N 1.387 2.561 0 C-N-CA 122.83 2.353 . . . . 0.0 112.668 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.6 p -158.36 168.89 25.76 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 121.505 0.669 . . . . 0.0 111.785 -171.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -87.58 71.0 9.8 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.5 mt -152.1 -54.23 0.13 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -72.74 -37.47 67.72 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.461 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.409 HD23 ' HD2' ' A' ' 42' ' ' PHE . 3.2 tm? -59.67 -39.32 84.07 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.915 0.486 . . . . 0.0 109.899 172.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.5 m -62.15 -41.85 98.69 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.571 0.749 . . . . 0.0 111.623 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.74 -37.55 87.8 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.362 0.665 . . . . 0.0 111.201 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.61 -50.42 31.0 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.757 0.823 . . . . 0.0 112.613 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -62.5 -35.07 78.22 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.602 0.761 . . . . 0.0 112.064 -174.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.6 m -74.91 -29.68 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 C-N-CA 122.677 0.391 . . . . 0.0 111.724 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.6 p -97.42 12.74 32.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.989 0.516 . . . . 0.0 112.058 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 123.531 0.732 . . . . 0.0 110.645 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.4 mttt . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 121.592 0.71 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.4 t -88.52 104.56 16.94 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 165.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -47.87 -43.99 28.95 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.368 1.067 . . . . 0.0 113.632 -170.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.77 -45.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.191 0.996 . . . . 0.0 111.525 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.2 m -87.38 -32.22 19.69 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.125 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.2 p 66.23 16.02 10.29 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 126.802 2.041 . . . . 0.0 112.305 -169.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -114.98 -176.9 3.0 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.438 1.095 . . . . 0.0 110.748 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -148.22 164.2 34.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.657 0.783 . . . . 0.0 111.196 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -107.49 149.48 27.91 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.963 1.305 . . . . 0.0 109.818 173.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -53.93 -25.61 21.3 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.831 1.252 . . . . 0.0 113.272 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 m -110.22 136.06 50.01 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 171.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -36.09 82.93 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.201 0.6 . . . . 0.0 109.719 173.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -73.1 -28.03 62.04 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.255 1.022 . . . . 0.0 111.176 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.11 -35.6 64.3 Favored Glycine 0 C--N 1.344 1.007 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.9 -45.64 67.15 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.28 1.032 . . . . 0.0 110.456 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -59.92 -43.73 94.72 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.52 0.728 . . . . 0.0 111.896 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.58 -43.11 89.35 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.544 0.737 . . . . 0.0 109.925 173.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -64.8 -36.36 84.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.378 1.071 . . . . 0.0 111.559 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.64 -24.99 65.98 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.41 -22.31 63.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.654 1.182 . . . . 0.0 113.05 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 p -72.11 -17.1 62.01 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.5 0.72 . . . . 0.0 111.284 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 N--CA 1.48 1.074 0 C-N-CA 123.426 0.69 . . . . 0.0 111.793 -175.321 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.435 ' HD2' ' HG ' ' A' ' 48' ' ' LEU . 8.3 t80 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 49.8 ttm -98.48 140.48 32.66 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.644 1.178 . . . . 0.0 108.046 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.569 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 48.5 t -68.62 126.87 93.16 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.087 -0.482 . . . . 0.0 110.678 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.95 -37.28 94.34 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.863 2.375 . . . . 0.0 111.879 174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.6 mt -84.19 -54.09 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.281 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.747 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 13.9 p -129.83 12.12 5.72 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -174.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.569 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 60.29 22.96 59.36 Favored Glycine 0 N--CA 1.48 1.596 0 N-CA-C 117.368 1.707 . . . . 0.0 117.368 173.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.747 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 18.2 mm-40 -61.64 133.27 55.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 117.386 0.593 . . . . 0.0 110.69 168.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -89.27 125.83 35.26 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.582 0.753 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -132.06 146.61 62.41 Favored Pre-proline 0 N--CA 1.476 0.864 0 C-N-CA 123.976 0.91 . . . . 0.0 109.516 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -59.88 -19.88 56.97 Favored 'Trans proline' 0 C--N 1.381 2.278 0 C-N-CA 123.836 3.024 . . . . 0.0 115.07 -171.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 p -150.74 172.02 16.25 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.716 0.769 . . . . 0.0 111.799 -171.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.47 43.83 1.17 Allowed 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.099 -1.409 . . . . 0.0 108.005 175.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -141.72 -53.87 0.45 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.2 p -68.74 -33.48 73.99 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.453 -1.248 . . . . 0.0 111.912 174.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 35' ' ' CYS . 2.2 tm? -70.36 -38.79 74.84 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 172.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 m -62.62 -46.07 89.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.456 0.702 . . . . 0.0 111.316 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.41 -38.21 90.25 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.514 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -63.46 -43.73 96.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.113 0.965 . . . . 0.0 110.86 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 36.0 ttpt -68.99 -35.26 76.5 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.127 -172.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -80.04 -35.63 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 122.819 0.448 . . . . 0.0 112.153 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 p -94.79 36.98 1.15 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.144 0.978 . . . . 0.0 110.707 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 3.3 t60 . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 123.105 0.562 . . . . 0.0 110.333 -162.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp . . . . . 0 C--O 1.238 0.47 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.488 ' HB2' HD21 ' A' ' 19' ' ' LEU . 40.9 t -70.19 96.47 1.09 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.79 -29.98 13.02 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.401 1.08 . . . . 0.0 112.036 173.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 t -68.5 -49.9 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.738 0.815 . . . . 0.0 110.927 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.2 m -91.51 -86.82 0.22 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.8 m 175.41 -51.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.48 1.512 . . . . 0.0 109.58 -172.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HG3' ' H ' ' A' ' 12' ' ' THR . 21.8 tpp180 -85.73 -176.94 6.24 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.846 0.859 . . . . 0.0 111.309 -164.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.535 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 9.9 t -128.73 156.25 43.81 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 125.079 1.351 . . . . 0.0 109.242 -169.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.604 ' HD1' ' H ' ' A' ' 15' ' ' SER . 6.9 t80 -108.22 138.63 44.17 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -46.94 -36.58 7.81 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.019 1.328 . . . . 0.0 113.533 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.604 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 59.9 p -108.56 141.29 40.68 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.53 0.732 . . . . 0.0 109.955 175.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.11 -46.34 79.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.141 0.976 . . . . 0.0 110.608 171.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -56.22 -33.47 65.4 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.746 1.219 . . . . 0.0 111.602 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.45 -40.86 31.8 Favored Glycine 0 C--N 1.344 1.011 0 O-C-N 124.134 0.896 . . . . 0.0 112.154 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.2 tm? -65.25 -44.41 88.24 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 117.479 0.639 . . . . 0.0 109.585 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -53.4 -46.65 69.78 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 124.273 0.983 . . . . 0.0 111.397 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.37 -38.33 90.66 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.253 1.021 . . . . 0.0 110.833 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -70.66 -34.89 72.52 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.775 1.23 . . . . 0.0 111.086 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tt -65.42 -34.28 77.92 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.964 1.305 . . . . 0.0 111.568 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -56.85 -24.68 53.11 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.901 0.88 . . . . 0.0 112.507 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.0 p -78.23 -25.98 47.18 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 123.783 0.833 . . . . 0.0 111.093 -172.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 123.179 0.592 . . . . 0.0 112.354 -171.936 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.826 0.346 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.8 ttt -113.06 141.16 47.2 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.999 0.919 . . . . 0.0 109.459 -172.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.02 134.59 92.93 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.891 0.877 . . . . 0.0 112.338 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.88 -47.4 8.73 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.71 2.274 . . . . 0.0 112.683 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.5 mt -78.15 -54.48 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -169.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.413 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 8.5 p -123.86 7.7 8.72 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.97 34.31 88.45 Favored Glycine 0 N--CA 1.483 1.771 0 N-CA-C 117.89 1.916 . . . . 0.0 117.89 164.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 18.2 mp0 -59.41 141.29 54.97 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.432 1.093 . . . . 0.0 111.143 165.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -90.72 127.99 36.51 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 124.024 0.929 . . . . 0.0 110.008 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -136.74 140.96 33.47 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 123.378 0.671 . . . . 0.0 109.227 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.37 -13.1 32.79 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.173 2.582 . . . . 0.0 113.974 -174.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.0 p -148.29 166.97 26.41 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.378 0.609 . . . . 0.0 111.385 -172.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.5 43.07 1.13 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -139.02 -54.85 0.59 Allowed 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.4 p -60.56 -38.09 83.42 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.113 169.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.88 -36.87 85.77 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.148 0.579 . . . . 0.0 109.879 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.0 m -64.35 -46.06 85.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.432 0.693 . . . . 0.0 111.291 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.38 -48.93 68.2 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 123.141 0.577 . . . . 0.0 111.711 172.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -60.92 -38.02 84.3 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.647 0.379 . . . . 0.0 111.407 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -71.47 -39.6 70.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.917 0.887 . . . . 0.0 111.292 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -82.33 -36.06 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.017 0.527 . . . . 0.0 111.563 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.8 p -82.42 13.1 3.83 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.119 0.567 . . . . 0.0 111.974 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 CA--C 1.559 1.301 0 C-N-CA 123.454 0.701 . . . . 0.0 111.43 -179.549 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? . . . . . 0 C--O 1.241 0.608 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.54 99.55 8.87 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -46.82 -43.24 18.29 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.136 1.374 . . . . 0.0 113.907 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.86 -48.84 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 123.447 0.699 . . . . 0.0 111.123 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.6 m -74.74 -36.21 62.64 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.249 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m 69.13 8.79 7.03 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.61 1.564 . . . . 0.0 111.93 -167.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -106.19 164.89 11.64 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.539 0.736 . . . . 0.0 111.188 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.4 p -115.88 162.04 17.91 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.216 1.006 . . . . 0.0 112.511 -166.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.41 ' HB3' HD23 ' A' ' 19' ' ' LEU . 40.3 p90 -78.61 -174.72 4.0 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -176.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -111.13 -61.18 1.73 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 170.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.5 p -107.2 158.77 16.84 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.791 0.836 . . . . 0.0 109.285 172.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.06 -41.47 95.08 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.227 0.611 . . . . 0.0 111.464 -172.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -75.12 -21.82 58.62 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.53 0.732 . . . . 0.0 110.203 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.91 -37.66 91.38 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.823 174.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' A' ' 13' ' ' PHE . 1.3 tm? -70.47 -42.08 71.92 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -62.39 -41.62 98.79 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.144 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.41 -45.16 73.37 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.751 0.82 . . . . 0.0 110.436 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -61.68 -31.14 71.25 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.688 0.795 . . . . 0.0 111.908 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.44 -25.28 68.2 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.3 0.64 . . . . 0.0 111.959 -172.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -63.57 -22.33 66.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.644 1.178 . . . . 0.0 112.92 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.3 p -69.34 -9.05 51.59 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.088 0.955 . . . . 0.0 112.085 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 . . . . . 0 N--CA 1.485 1.299 0 C-N-CA 123.595 0.758 . . . . 0.0 111.108 -177.138 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.6 ttp -130.53 116.42 18.14 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.42 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 40.7 t -55.5 132.74 70.94 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 123.528 0.731 . . . . 0.0 112.564 -174.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.03 -37.32 43.69 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 122.203 1.935 . . . . 0.0 112.471 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mt -85.68 -54.47 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.733 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 13.7 p -122.87 3.49 9.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 62.93 27.74 70.79 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 116.647 1.419 . . . . 0.0 116.647 170.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.733 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 41.0 mm-40 -65.58 146.77 54.43 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 122.914 0.486 . . . . 0.0 111.831 168.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -102.89 139.26 38.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.561 1.145 . . . . 0.0 109.371 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -130.35 156.28 79.72 Favored Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 123.223 0.609 . . . . 0.0 110.783 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -64.13 -14.37 43.22 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.084 2.523 . . . . 0.0 113.944 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.0 p -149.73 168.07 24.68 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.889 0.852 . . . . 0.0 111.452 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tt -92.27 49.65 1.54 Allowed 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 87.3 mt -147.52 -51.29 0.19 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -176.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.6 p -63.7 -36.91 85.41 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.607 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.03 -29.17 68.91 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 123.093 0.557 . . . . 0.0 110.586 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.9 m -68.94 -45.33 71.05 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.853 0.861 . . . . 0.0 110.812 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 46.3 mt-10 -58.63 -48.62 80.41 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.479 177.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -58.51 -40.1 81.91 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.482 1.113 . . . . 0.0 112.367 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -60.93 -46.62 89.94 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.971 0.794 . . . . 0.0 112.27 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 m -78.86 -40.32 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 122.804 0.442 . . . . 0.0 112.19 -173.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.3 p -94.21 37.96 1.1 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.247 1.019 . . . . 0.0 110.585 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--O 1.25 1.091 0 C-N-CA 123.376 0.67 . . . . 0.0 110.672 -165.203 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.795 0.331 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.567 ' HB2' HD21 ' A' ' 19' ' ' LEU . 42.3 t -82.83 107.17 15.25 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 171.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -56.89 -38.71 73.16 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.578 0.751 . . . . 0.0 112.008 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.7 -56.98 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 C-N-CA 123.401 0.68 . . . . 0.0 111.322 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.91 -28.9 64.86 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.1 p 70.53 2.71 4.19 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 127.003 2.121 . . . . 0.0 111.846 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -101.26 165.12 11.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.311 1.044 . . . . 0.0 109.913 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -119.77 153.74 35.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.833 0.853 . . . . 0.0 109.931 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' HD2' ' H ' ' A' ' 15' ' ' SER . 23.6 t80 -87.33 162.16 17.53 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -64.1 -30.95 71.98 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.912 0.485 . . . . 0.0 110.654 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.57 ' H ' ' HD2' ' A' ' 13' ' ' PHE . 15.9 t -125.97 163.15 23.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.713 1.205 . . . . 0.0 109.112 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -88.66 -30.54 19.08 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -169.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -75.0 -42.37 57.67 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.38 -39.86 60.11 Favored Glycine 0 C--N 1.345 1.061 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.457 172.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.6 tm? -65.65 -47.14 76.57 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 123.271 0.628 . . . . 0.0 110.851 174.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -55.2 -42.03 72.73 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.552 0.741 . . . . 0.0 112.213 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -67.99 -39.9 83.19 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.927 0.491 . . . . 0.0 110.328 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.91 -26.75 68.45 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.058 0.943 . . . . 0.0 111.448 174.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 tt -71.51 -27.9 63.53 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -78.47 -27.62 46.36 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 124.046 0.939 . . . . 0.0 111.283 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.1 p -65.46 -12.03 48.68 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 N--CA 1.483 1.179 0 C-N-CA 123.054 0.542 . . . . 0.0 111.026 178.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.547 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER . . . . . 0 CA--C 1.551 1.008 0 CA-C-O 120.94 0.4 . . . . 0.0 110.489 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.0 ttt -106.09 132.98 51.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 170.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 36.1 t -60.38 121.17 58.05 Favored Pre-proline 0 CA--C 1.551 0.992 0 O-C-N 123.536 0.523 . . . . 0.0 111.092 -176.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.98 -36.05 98.35 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.697 2.265 . . . . 0.0 113.59 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.8 mt -88.52 -53.31 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -172.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.727 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 6.6 p -116.87 -0.98 12.11 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 66.65 29.31 74.54 Favored Glycine 0 C--N 1.341 0.82 0 N-CA-C 116.859 1.504 . . . . 0.0 116.859 170.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.727 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 28.9 mm-40 -67.71 113.37 5.44 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 117.247 0.524 . . . . 0.0 110.11 165.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -83.14 126.98 33.2 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -116.77 153.86 49.32 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 123.933 0.893 . . . . 0.0 110.012 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.82 -13.57 40.44 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 123.071 2.514 . . . . 0.0 113.309 -175.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.3 p -153.04 169.09 23.78 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.535 0.683 . . . . 0.0 111.4 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.547 ' HG ' ' HB2' ' A' ' 33' ' ' TYR . 5.3 mp -88.78 42.12 1.06 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.753 1.221 . . . . 0.0 109.265 176.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.4 mt -138.21 -53.58 0.62 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -168.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 p -67.68 -34.85 77.73 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 112.981 -1.918 . . . . 0.0 111.357 172.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.464 ' HG ' ' HB3' ' A' ' 33' ' ' TYR . 2.8 tm? -66.14 -35.42 80.44 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -67.9 -38.73 83.33 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.061 0.544 . . . . 0.0 110.924 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.1 -38.25 88.16 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.475 172.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -70.69 -51.51 27.16 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.095 0.958 . . . . 0.0 112.695 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.52 -30.62 65.31 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -167.267 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.3 m -62.95 -20.62 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 124.018 0.927 . . . . 0.0 113.03 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -79.29 -2.67 42.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.951 0.501 . . . . 0.0 112.296 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--O 1.249 1.043 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.061 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--O 1.237 0.4 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.0 t -94.53 82.04 3.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.332 1.053 . . . . 0.0 108.415 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -57.42 -35.92 70.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.301 1.44 . . . . 0.0 114.741 -167.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.4 t -58.53 -45.61 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.164 0.586 . . . . 0.0 111.61 -171.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.0 p -92.82 -28.71 16.37 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.23 0.612 . . . . 0.0 111.014 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 m 99.43 3.05 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 128.051 2.541 . . . . 0.0 112.696 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -81.17 146.2 30.63 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.828 0.451 . . . . 0.0 110.545 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -98.66 170.53 8.73 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 123.546 0.738 . . . . 0.0 110.846 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.462 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -76.57 169.22 18.67 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.813 0.816 . . . . 0.0 112.247 175.65 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -112.86 -59.62 1.99 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -114.32 170.98 7.9 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 114.297 -1.32 . . . . 0.0 107.524 163.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.85 -34.96 77.72 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 117.683 0.22 . . . . 0.0 110.819 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -74.89 -28.55 60.68 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.171 0.589 . . . . 0.0 110.058 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.98 -36.44 88.18 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.949 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 2.7 tm? -60.87 -47.3 87.0 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.339 0.655 . . . . 0.0 109.94 172.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -63.82 -39.1 93.42 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 124.366 1.041 . . . . 0.0 111.465 -173.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.83 -47.94 64.76 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.45 0.7 . . . . 0.0 110.003 176.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -60.71 -29.08 69.13 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.98 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.19 -33.16 75.14 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.58 0.752 . . . . 0.0 110.921 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -73.97 -17.38 61.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.139 0.976 . . . . 0.0 111.594 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.1 p -68.87 -12.8 61.94 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.15 0.58 . . . . 0.0 111.624 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 123.908 0.883 . . . . 0.0 110.128 179.401 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.615 0.721 . . . . 0.0 112.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 47.6 ttm -100.89 140.31 35.35 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.367 -1.288 . . . . 0.0 107.844 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HA ' HD21 ' A' ' 48' ' ' LEU . 20.2 t -58.57 130.83 85.23 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.779 0.832 . . . . 0.0 111.917 -178.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.07 -40.36 34.27 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.525 2.15 . . . . 0.0 112.18 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mt -81.49 -53.63 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -168.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 p -127.39 8.78 6.55 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.38 36.08 92.91 Favored Glycine 0 N--CA 1.477 1.387 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 163.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -69.68 122.48 19.22 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.038 0.935 . . . . 0.0 109.478 164.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -73.37 132.2 42.75 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.448 ' HD2' HD23 ' A' ' 48' ' ' LEU . 68.2 m-85 -127.7 152.2 76.53 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 124.079 0.952 . . . . 0.0 109.629 175.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -64.34 -28.6 63.33 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.569 2.179 . . . . 0.0 113.218 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -159.14 175.16 13.81 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 121.411 0.624 . . . . 0.0 111.964 -170.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 1.9 pp -82.27 45.24 0.93 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.115 1.366 . . . . 0.0 112.134 178.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -132.24 -55.47 0.97 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 -177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -69.27 -35.19 75.82 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.156 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 35' ' ' CYS . 3.2 tm? -66.33 -40.09 89.65 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -63.45 -45.0 92.9 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.512 0.725 . . . . 0.0 111.149 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -61.55 -43.32 99.08 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.887 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.68 -37.81 85.49 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.576 0.75 . . . . 0.0 111.183 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.55 -40.71 69.82 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.798 0.839 . . . . 0.0 112.422 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.2 m -77.14 -28.98 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 122.172 -0.33 . . . . 0.0 111.538 -176.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.9 p -98.84 14.4 29.03 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.279 0.632 . . . . 0.0 111.749 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 . . . . . 0 CA--C 1.556 1.179 0 C-N-CA 123.292 0.637 . . . . 0.0 111.002 179.414 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 33.9 t -73.34 22.37 0.07 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 116.161 1.911 . . . . 0.0 116.161 -158.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 52.35 -68.51 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 126.025 1.73 . . . . 0.0 115.128 153.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.47 -50.67 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.811 1.244 . . . . 0.0 109.376 173.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.548 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 96.4 m -68.26 -48.12 65.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.552 169.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.2 p 46.03 74.87 0.13 Allowed 'General case' 0 C--N 1.361 1.077 0 O-C-N 124.924 1.39 . . . . 0.0 110.406 -165.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.548 ' HG2' ' HB3' ' A' ' 9' ' ' CYS . 15.2 mmm180 -125.0 -71.87 0.69 Allowed 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -168.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -179.92 -170.43 0.15 Allowed 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.162 -161.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -164.89 147.09 8.17 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.702 1.601 . . . . 0.0 107.583 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -78.53 -42.59 29.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.1 p -161.66 -173.39 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 113.419 -1.719 . . . . 0.0 108.521 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 37.6 mm-40 -61.31 -47.84 84.13 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 171.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -68.9 -31.56 70.57 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.485 0.714 . . . . 0.0 110.019 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.05 -51.15 60.92 Favored Glycine 0 C--N 1.354 1.557 0 O-C-N 124.485 1.116 . . . . 0.0 111.85 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.44 HD21 ' N ' ' A' ' 6' ' ' CYS . 2.7 tm? -59.21 -50.36 74.34 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.219 1.008 . . . . 0.0 111.549 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 18.6 mtm180 -63.65 -41.58 98.2 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.255 -174.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -46.36 79.68 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.884 0.874 . . . . 0.0 109.755 174.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -70.64 -27.46 64.07 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.341 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -63.78 -23.34 67.32 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.541 0.737 . . . . 0.0 112.874 -172.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.29 -19.44 46.18 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.196 0.998 . . . . 0.0 113.008 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.0 p -76.02 -1.96 28.33 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.777 0.831 . . . . 0.0 111.847 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 . . . . . 0 N--CA 1.488 1.46 0 C-N-CA 123.844 0.857 . . . . 0.0 110.874 -177.793 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.599 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.242 0.685 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.3 ttm -93.79 119.42 32.73 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 166.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 9.3 t -64.0 127.12 91.42 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 123.378 0.671 . . . . 0.0 110.867 -168.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -52.11 -44.92 42.47 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.161 2.574 . . . . 0.0 114.784 -172.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.9 mt -84.53 -51.96 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 p -99.54 -37.64 9.09 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.496 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 73.9 28.52 64.62 Favored Glycine 0 C--N 1.349 1.289 0 N-CA-C 115.367 0.907 . . . . 0.0 115.367 173.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.19 164.09 24.98 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.442 0.697 . . . . 0.0 111.86 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -93.26 122.59 35.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.617 0.767 . . . . 0.0 109.901 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.413 ' HE2' ' HB2' ' A' ' 35' ' ' CYS . 73.8 m-85 -112.57 140.81 24.27 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 123.628 0.771 . . . . 0.0 109.578 177.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -54.09 -32.76 70.93 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 123.424 2.749 . . . . 0.0 112.939 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 t -161.7 179.59 8.02 Favored 'General case' 0 C--O 1.247 0.939 0 C-N-CA 123.542 0.737 . . . . 0.0 109.994 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.599 ' HG ' ' HB2' ' A' ' 33' ' ' TYR . 2.1 tt -92.54 59.33 3.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.67 0.788 . . . . 0.0 108.904 -174.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mp -139.25 -48.27 0.48 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.1 p -62.95 -28.68 70.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.577 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' HG ' ' HB3' ' A' ' 33' ' ' TYR . 3.2 tm? -60.56 -44.66 95.92 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 171.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 m -65.49 -41.73 92.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.638 0.775 . . . . 0.0 110.914 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.88 -42.96 94.37 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.184 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -70.68 -47.92 57.42 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.512 1.125 . . . . 0.0 113.537 -174.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -33.75 41.98 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 124.465 1.106 . . . . 0.0 113.711 -167.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.2 m -60.51 -25.28 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 123.941 0.896 . . . . 0.0 112.447 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.8 p -83.63 0.96 44.6 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.3 m80 . . . . . 0 CA--C 1.554 1.097 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.211 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.437 ' HB2' HD21 ' A' ' 19' ' ' LEU . 43.2 t -70.26 91.07 0.71 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 171.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -54.81 -32.07 59.93 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.794 1.238 . . . . 0.0 112.416 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.2 t -56.62 -44.12 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 124.143 0.977 . . . . 0.0 110.583 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.2 m -88.35 -22.82 23.61 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.581 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m 75.98 7.9 3.6 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.648 1.979 . . . . 0.0 112.098 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -115.59 174.19 6.14 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.395 0.678 . . . . 0.0 110.529 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -121.9 156.02 34.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.763 0.825 . . . . 0.0 110.125 -172.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.424 ' HD1' ' H ' ' A' ' 15' ' ' SER . 3.1 t80 -107.57 136.79 46.74 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 165.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -73.39 0.15 13.04 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.424 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 29.5 m -132.38 136.28 46.71 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.052 0.941 . . . . 0.0 109.794 173.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.36 -55.68 30.71 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.468 1.107 . . . . 0.0 112.393 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.04 -19.32 63.3 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.545 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.2 -36.85 49.92 Favored Glycine 0 C--N 1.343 0.921 0 O-C-N 123.894 0.746 . . . . 0.0 111.733 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.7 tm? -63.98 -46.81 82.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.058 0.943 . . . . 0.0 110.296 171.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -62.58 -32.45 73.44 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.807 0.843 . . . . 0.0 111.473 176.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.19 -32.82 59.19 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.501 0.72 . . . . 0.0 110.585 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 25' ' ' THR . 36.1 t60 -67.27 -36.73 82.19 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.891 0.876 . . . . 0.0 109.651 172.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -23.21 66.25 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.816 1.246 . . . . 0.0 111.171 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -63.91 -15.51 59.26 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.601 0.76 . . . . 0.0 112.925 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 22' ' ' HIS . 4.9 t -81.77 -20.15 39.82 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.804 0.442 . . . . 0.0 110.981 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 . . . . . 0 N--CA 1.483 1.214 0 C-N-CA 124.627 1.171 . . . . 0.0 110.609 177.766 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 . . . . . 0 N--CA 1.475 0.798 0 CA-C-O 121.307 0.575 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.1 ttm -110.1 143.3 40.35 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.387 1.475 . . . . 0.0 107.37 171.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.63 143.44 96.49 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 122.651 0.38 . . . . 0.0 111.777 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.87 -48.6 0.47 Allowed 'Trans proline' 0 CA--C 1.556 1.581 0 C-N-CA 122.021 1.814 . . . . 0.0 113.128 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -78.84 -51.97 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -167.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.5 p -109.77 -39.83 4.99 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.488 0.585 . . . . 0.0 111.436 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.34 39.76 4.4 Favored Glycine 0 C--N 1.348 1.205 0 N-CA-C 116.725 1.45 . . . . 0.0 116.725 156.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.26 160.25 29.02 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 117.631 0.716 . . . . 0.0 110.617 167.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -86.59 146.38 26.37 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.81 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -123.43 145.44 46.78 Favored Pre-proline 0 N--CA 1.483 1.215 0 C-N-CA 123.355 0.662 . . . . 0.0 111.288 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -73.39 -18.65 22.9 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.314 2.676 . . . . 0.0 112.996 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 p -158.94 164.38 35.67 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.453 0.701 . . . . 0.0 111.184 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -84.6 79.15 9.69 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 57.2 tp -160.92 -55.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -65.77 -31.67 72.78 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.973 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.1 -44.09 91.93 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.352 0.661 . . . . 0.0 110.33 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.8 m -67.92 -41.79 82.07 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.621 0.768 . . . . 0.0 111.249 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 7.9 mm-40 -62.56 -40.33 96.48 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.718 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -71.15 -37.42 72.26 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.895 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -57.04 -51.68 68.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.216 1.006 . . . . 0.0 111.35 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.94 -26.5 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.757 -174.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.7 p -86.84 5.45 36.67 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 118.894 -0.574 . . . . 0.0 111.386 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--O 1.244 0.778 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.9 t -78.2 94.52 4.77 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -49.18 -40.27 32.51 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.811 1.244 . . . . 0.0 113.698 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.92 -44.85 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 C-N-CA 124.05 0.94 . . . . 0.0 110.874 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.4 m -79.88 -30.02 40.08 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.764 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 m 72.96 9.74 5.4 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.561 1.945 . . . . 0.0 112.836 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -113.58 168.24 9.93 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -101.57 162.5 12.86 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.475 -163.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.457 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -77.87 -175.04 3.79 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.369 174.354 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -133.77 -55.0 0.88 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.9 p -105.43 146.06 30.0 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 124.556 1.142 . . . . 0.0 108.344 168.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.95 -39.13 87.2 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.883 0.473 . . . . 0.0 110.797 -175.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -73.59 -21.76 60.24 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.034 0.534 . . . . 0.0 110.162 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.95 97.65 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.885 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.59 -42.26 98.61 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.12 0.568 . . . . 0.0 110.247 174.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -58.76 -49.66 76.81 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 124.162 0.914 . . . . 0.0 111.475 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.34 -38.34 89.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.453 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -66.52 -36.1 81.87 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.21 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -63.98 -18.24 64.09 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.989 0.516 . . . . 0.0 111.521 -173.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -71.31 -13.24 61.82 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.623 1.169 . . . . 0.0 112.581 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.4 p -73.83 -11.61 60.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.984 0.514 . . . . 0.0 110.972 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 . . . . . 0 N--CA 1.483 1.197 0 C-N-CA 124.362 1.065 . . . . 0.0 108.666 179.1 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.428 ' HE1' ' HE ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 121.222 0.535 . . . . 0.0 109.772 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 51.4 ttm -110.05 129.82 55.63 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 12.2 t -74.49 121.99 86.5 Favored Pre-proline 0 CA--C 1.56 1.332 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.964 -177.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -46.06 -41.19 21.25 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 124.381 3.388 . . . . 0.0 116.291 -174.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.1 mt -91.98 -53.91 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.526 ' SG ' ' HG3' ' A' ' 40' ' ' GLU . 6.5 p -104.63 -19.62 13.91 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -167.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.424 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 73.1 18.13 79.03 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 116.055 1.182 . . . . 0.0 116.055 173.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HG3' ' SG ' ' A' ' 38' ' ' CYS . 51.3 mt-10 -67.16 127.87 34.23 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 117.284 0.542 . . . . 0.0 111.139 173.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.428 ' HE ' ' HE1' ' A' ' 33' ' ' TYR . 2.1 tmt_? -87.18 135.44 33.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.655 1.182 . . . . 0.0 109.938 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -121.69 160.21 47.51 Favored Pre-proline 0 N--CA 1.483 1.182 0 C-N-CA 124.54 1.136 . . . . 0.0 109.836 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -56.8 -26.08 64.59 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 123.26 2.64 . . . . 0.0 113.564 -175.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.6 m -146.13 162.52 37.78 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.23 0.612 . . . . 0.0 110.105 -177.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 tp -88.85 54.43 3.01 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 122.649 1.214 . . . . 0.0 108.056 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 45.3 tp -150.45 -53.39 0.15 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -61.76 -33.97 75.02 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.62 168.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.33 -43.18 99.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.204 1.002 . . . . 0.0 109.937 172.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 m -65.62 -45.28 83.7 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.974 0.91 . . . . 0.0 111.187 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 13.3 mm-40 -55.22 -46.11 75.93 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.301 1.04 . . . . 0.0 110.845 175.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -66.9 -40.24 87.66 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 123.772 0.67 . . . . 0.0 110.932 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.78 -46.14 86.55 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.066 0.946 . . . . 0.0 110.781 -169.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.36 -31.88 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 122.848 0.459 . . . . 0.0 111.609 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -87.64 21.36 2.6 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.696 172.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt . . . . . 0 C--O 1.241 0.617 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -89.04 104.8 17.32 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 165.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -51.56 -44.84 62.83 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.575 1.15 . . . . 0.0 112.547 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.89 -44.75 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.997 -173.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.1 m -81.52 -31.62 32.71 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.516 0.726 . . . . 0.0 111.588 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 m 77.46 8.59 2.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.137 1.775 . . . . 0.0 110.923 -171.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -117.15 -158.83 0.71 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.771 1.228 . . . . 0.0 109.474 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -164.24 177.44 8.32 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.127 0.489 . . . . 0.0 112.189 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -97.78 146.64 25.2 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 164.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -79.35 18.03 0.75 Allowed 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 118.823 0.738 . . . . 0.0 112.185 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -147.22 147.69 30.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.236 1.415 . . . . 0.0 108.173 169.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 2.5 mp0 -68.84 -48.2 64.11 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.813 0.845 . . . . 0.0 112.364 -168.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.65 -27.95 65.47 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.911 0.484 . . . . 0.0 110.213 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.1 -36.53 56.54 Favored Glycine 0 C--N 1.348 1.24 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.283 176.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.71 -41.29 96.09 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.799 0.84 . . . . 0.0 110.642 173.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 31.7 mmm180 -58.76 -37.09 75.48 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.871 0.732 . . . . 0.0 111.505 173.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.61 -38.85 74.0 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.564 0.746 . . . . 0.0 110.633 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -63.49 -37.81 88.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.336 1.054 . . . . 0.0 110.824 177.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.37 -28.8 63.5 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.871 1.268 . . . . 0.0 112.102 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.7 -20.34 66.26 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.775 0.83 . . . . 0.0 113.054 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.6 p -71.41 -25.85 62.51 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.945 0.498 . . . . 0.0 111.017 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 123.529 0.732 . . . . 0.0 111.124 -178.694 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.441 ' HA ' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.238 0.479 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.1 ttp -125.41 127.44 46.55 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.089 -171.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.638 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 34.6 t -83.31 126.46 71.77 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-O 118.988 -0.529 . . . . 0.0 110.312 173.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -47.14 -52.8 7.24 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 123.033 2.489 . . . . 0.0 114.024 167.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.4 mt -72.08 -55.91 11.83 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.13 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -172.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -44.45 4.01 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 118.313 0.506 . . . . 0.0 111.647 -173.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.638 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 91.65 31.35 9.51 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 115.078 0.791 . . . . 0.0 115.078 166.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -78.71 164.62 24.43 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.646 0.778 . . . . 0.0 111.665 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -115.09 138.42 50.91 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.141 0.976 . . . . 0.0 109.297 -175.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -124.37 161.69 46.37 Favored Pre-proline 0 N--CA 1.479 0.975 0 C-N-CA 124.035 0.934 . . . . 0.0 109.784 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -47.12 -27.66 6.61 Favored 'Trans proline' 0 C--N 1.391 2.811 0 C-N-CA 123.973 3.115 . . . . 0.0 114.748 -176.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -156.31 179.59 9.09 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.498 0.666 . . . . 0.0 111.033 175.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 33' ' ' TYR . 28.6 tp -87.15 36.48 0.73 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.854 1.262 . . . . 0.0 110.06 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 3.4 mm? -130.42 -52.53 1.09 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -174.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.1 p -64.28 -29.97 71.04 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.328 170.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.0 -34.5 78.24 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.602 0.761 . . . . 0.0 110.457 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 m -72.09 -36.57 69.54 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.716 0.806 . . . . 0.0 110.879 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 20.5 mm-40 -60.28 -34.93 74.44 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.321 172.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -71.46 -34.11 69.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.184 0.593 . . . . 0.0 111.826 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.52 -39.05 86.38 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.404 0.682 . . . . 0.0 111.607 -173.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.12 -29.66 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.4 p -81.25 21.93 0.71 Allowed 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m80 . . . . . 0 C--O 1.251 1.144 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 165.936 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.1 tttt . . . . . 0 CA--C 1.513 -0.46 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 43.7 t -81.42 89.07 6.1 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.601 0.36 . . . . 0.0 110.354 -175.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -55.27 -31.81 61.86 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -54.36 -56.29 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 123.988 0.915 . . . . 0.0 111.798 -173.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.53 -26.87 14.28 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.253 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 m 91.54 17.76 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 126.896 2.078 . . . . 0.0 112.33 172.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 6' ' ' CYS . 61.0 mmt-85 -102.35 174.27 5.99 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.556 0.743 . . . . 0.0 111.558 176.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -137.69 165.91 25.23 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.725 0.774 . . . . 0.0 112.737 -171.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -79.03 -174.72 4.2 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.494 1.518 . . . . 0.0 113.454 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -120.52 -53.45 2.11 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 175.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -118.19 163.37 16.75 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.884 1.274 . . . . 0.0 109.223 170.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.73 -43.18 80.39 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -168.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -70.41 -18.25 63.02 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.152 0.581 . . . . 0.0 111.067 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.1 -45.69 95.54 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.441 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -43.04 91.38 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 30.1 mmm180 -58.25 -53.61 56.29 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 124.526 1.141 . . . . 0.0 111.396 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -56.35 -48.92 75.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.409 1.084 . . . . 0.0 110.835 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -59.89 -33.77 72.28 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.961 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 tp -74.16 -32.44 63.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 111.508 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 20' ' ' ARG . 94.7 mt-30 -78.81 -38.29 38.61 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.252 0.621 . . . . 0.0 110.152 -178.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.9 p -79.4 -3.49 46.63 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.952 0.901 . . . . 0.0 111.875 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 121.018 0.437 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 35.9 ttm -97.5 144.96 26.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.184 1.394 . . . . 0.0 108.295 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.631 ' HA ' HD21 ' A' ' 48' ' ' LEU . 31.7 t -66.22 138.58 96.07 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -65.62 -50.4 1.84 Allowed 'Trans proline' 0 C--N 1.372 1.809 0 C-N-CA 122.651 2.234 . . . . 0.0 112.96 172.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.2 mt -78.01 -54.96 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -164.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.9 p -107.14 -40.61 5.38 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 118.046 0.385 . . . . 0.0 110.909 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 35' ' ' CYS . . . 99.32 39.74 3.41 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 116.922 1.529 . . . . 0.0 116.922 156.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.8 152.76 22.77 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 117.518 0.659 . . . . 0.0 110.469 166.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -88.05 139.7 30.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.904 0.881 . . . . 0.0 111.337 -172.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -123.17 151.71 62.48 Favored Pre-proline 0 N--CA 1.474 0.775 0 C-N-CA 123.876 0.87 . . . . 0.0 109.445 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.12 -41.22 76.62 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 123.067 2.512 . . . . 0.0 113.103 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.9 m -153.44 175.08 13.56 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.019 0.528 . . . . 0.0 110.339 -169.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.4 tp -85.68 56.98 4.21 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.008 0.923 . . . . 0.0 110.541 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -136.86 -56.07 0.73 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.4 p -68.99 -33.98 74.55 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.108 0.963 . . . . 0.0 111.206 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 35' ' ' CYS . 2.8 tm? -62.8 -44.33 96.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.155 0.582 . . . . 0.0 110.423 174.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.9 m -65.91 -41.82 90.97 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.462 0.705 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.63 -46.51 84.04 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.519 0.728 . . . . 0.0 110.384 175.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -66.67 -41.14 88.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.796 0.839 . . . . 0.0 111.974 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.47 -43.17 99.47 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.083 0.953 . . . . 0.0 112.209 -172.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.434 HG23 HG23 ' A' ' 54' ' ' THR . 29.8 m -77.98 -32.31 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 122.892 0.477 . . . . 0.0 111.921 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 53' ' ' VAL . 70.5 p -94.5 35.35 1.22 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.955 0.902 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 . . . . . 0 CA--C 1.558 1.253 0 C-N-CA 122.797 0.439 . . . . 0.0 110.499 -165.62 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.7 t -83.82 109.78 17.82 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 167.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -35.09 79.53 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.399 0.68 . . . . 0.0 110.779 -177.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.56 -43.75 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.804 0.842 . . . . 0.0 111.562 -177.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.2 m -87.23 -31.27 20.38 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.65 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m 77.65 10.7 2.22 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 126.693 1.997 . . . . 0.0 111.157 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -110.73 -174.57 2.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.052 0.941 . . . . 0.0 110.37 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 t -140.81 170.41 15.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.586 0.755 . . . . 0.0 110.105 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.476 ' HD1' ' H ' ' A' ' 15' ' ' SER . 5.5 t80 -113.74 150.85 32.77 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.969 0.908 . . . . 0.0 109.126 175.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.58 -35.58 74.57 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.007 0.923 . . . . 0.0 111.677 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.476 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 36.1 p -105.81 137.24 44.01 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 172.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.99 -28.03 60.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.41 0.284 . . . . 0.0 110.51 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -75.55 -35.47 60.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.237 0.615 . . . . 0.0 109.435 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.54 -32.33 83.86 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.051 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.01 -43.9 90.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.995 0.918 . . . . 0.0 110.313 172.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.456 ' HD2' HD12 ' A' ' 23' ' ' LEU . 22.3 mmm180 -61.84 -34.79 76.6 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.881 0.872 . . . . 0.0 112.352 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -72.18 -38.69 69.05 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.614 0.721 . . . . 0.0 109.971 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -67.05 -30.32 70.36 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.761 1.224 . . . . 0.0 110.595 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD12 ' HD2' ' A' ' 20' ' ' ARG . 16.3 mt -61.35 -27.3 68.41 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.984 0.914 . . . . 0.0 112.415 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -77.94 -13.91 59.72 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.214 1.006 . . . . 0.0 111.583 -173.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.0 p -76.26 -4.24 40.9 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 123.378 0.671 . . . . 0.0 111.274 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 . . . . . 0 N--CA 1.484 1.272 0 C-N-CA 123.5 0.72 . . . . 0.0 111.166 177.465 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--O 1.238 0.475 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.6 ttp -93.08 113.57 25.87 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.426 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 19.6 t -59.8 127.47 85.32 Favored Pre-proline 0 CA--C 1.55 0.976 0 O-C-N 123.629 0.581 . . . . 0.0 111.558 -173.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -47.96 -48.36 16.5 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.65 2.9 . . . . 0.0 114.607 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.5 mt -84.7 -54.99 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.437 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 12.2 p -109.32 -7.16 15.28 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -166.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.426 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 61.51 25.09 64.71 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 116.332 1.293 . . . . 0.0 116.332 173.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 15.0 mm-40 -68.88 149.73 48.57 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.696 0.799 . . . . 0.0 111.368 169.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -93.4 124.62 37.51 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.917 0.887 . . . . 0.0 109.557 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -123.28 139.9 32.71 Favored Pre-proline 0 N--CA 1.481 1.11 0 C-N-CA 123.219 0.608 . . . . 0.0 109.793 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -67.1 -4.02 10.81 Favored 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 123.957 3.104 . . . . 0.0 114.168 -171.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 p -153.44 164.48 38.11 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.9 0.857 . . . . 0.0 111.108 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.79 42.75 1.1 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.035 -1.438 . . . . 0.0 109.445 170.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -145.03 -51.29 0.27 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 -170.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.9 p -62.34 -38.87 91.17 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.722 167.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.7 -37.36 86.23 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 123.689 0.618 . . . . 0.0 109.952 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.7 m -64.29 -41.25 96.97 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.403 0.681 . . . . 0.0 110.907 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' HG22 ' A' ' 54' ' ' THR . 41.2 mt-10 -64.75 -42.93 94.78 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.873 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -65.41 -44.56 87.06 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.433 1.093 . . . . 0.0 112.572 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -66.21 -33.89 76.77 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.39 0.676 . . . . 0.0 112.398 -171.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.82 -30.45 21.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 122.595 0.358 . . . . 0.0 111.816 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 50' ' ' GLU . 15.2 t -102.72 34.54 2.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.105 0.962 . . . . 0.0 110.555 -178.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 . . . . . 0 CA--C 1.557 1.24 0 C-N-CA 123.126 0.57 . . . . 0.0 111.135 -162.887 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 t -87.33 86.69 7.28 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 170.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -11.22 -64.91 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 127.391 2.276 . . . . 0.0 115.982 -177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.1 t -64.37 -54.21 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.081 0.953 . . . . 0.0 111.312 -175.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.4 m -58.3 -43.1 87.92 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.792 0.837 . . . . 0.0 111.803 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 m 67.71 15.41 9.68 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.367 1.467 . . . . 0.0 111.232 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -117.09 176.75 4.99 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.936 1.295 . . . . 0.0 108.894 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -133.17 154.25 50.8 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.967 0.907 . . . . 0.0 110.447 -172.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -100.83 149.26 24.03 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.707 1.203 . . . . 0.0 109.216 172.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -53.57 -24.77 14.64 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.834 0.854 . . . . 0.0 112.657 174.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.1 t -109.58 135.74 50.08 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 166.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -79.47 -29.95 41.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.207 0.603 . . . . 0.0 110.276 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.87 -36.73 75.71 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.02 -29.92 62.02 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.258 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.12 -50.37 61.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.161 0.984 . . . . 0.0 110.618 172.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -58.73 -42.52 88.94 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.721 0.809 . . . . 0.0 111.701 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.19 -42.62 95.44 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.614 174.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -67.29 -38.34 84.88 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.515 1.126 . . . . 0.0 111.597 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.05 -35.32 76.6 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.971 0.908 . . . . 0.0 111.082 -171.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -69.22 -18.75 63.93 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.627 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 p -73.64 -8.67 56.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.061 0.545 . . . . 0.0 112.018 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 121.148 0.499 . . . . 0.0 110.419 177.804 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.941 0.4 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.2 ttt -94.54 141.18 28.89 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' HD21 ' A' ' 48' ' ' LEU . 33.9 t -66.92 139.4 95.6 Favored Pre-proline 0 CA--C 1.552 1.031 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.55 -43.2 2.11 Favored 'Trans proline' 0 C--N 1.37 1.658 0 C-N-CA 122.099 1.866 . . . . 0.0 112.906 173.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 mt -78.39 -53.34 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -166.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.5 p -111.17 -39.62 4.69 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 118.148 0.431 . . . . 0.0 111.435 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.64 40.72 3.8 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 116.21 1.244 . . . . 0.0 116.21 158.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.54 160.13 17.6 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 117.479 0.639 . . . . 0.0 110.071 164.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -81.22 143.87 32.0 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.116 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -130.75 148.4 70.0 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.24 1.016 . . . . 0.0 110.134 172.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.26 -22.25 53.63 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.941 2.428 . . . . 0.0 113.226 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.5 p -162.44 168.26 22.31 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -172.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -86.78 57.27 4.41 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 122.704 1.24 . . . . 0.0 108.992 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -146.26 -51.05 0.22 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 105.52 -2.029 . . . . 0.0 105.52 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.0 p -72.57 -38.69 67.84 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.062 173.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 35' ' ' CYS . 3.2 tm? -61.53 -34.67 75.94 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.54 0.736 . . . . 0.0 110.207 170.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.5 m -63.98 -46.96 82.29 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.909 0.884 . . . . 0.0 111.346 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.12 -34.54 78.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.352 0.661 . . . . 0.0 110.59 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.27 -46.38 80.7 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.391 1.076 . . . . 0.0 111.142 173.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.79 -44.92 95.92 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.973 1.309 . . . . 0.0 113.527 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.51 -21.64 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -169.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.1 p -120.7 -57.54 1.89 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.227 0.611 . . . . 0.0 110.428 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 CA--C 1.559 1.315 0 C-N-CA 126.056 1.742 . . . . 0.0 112.255 178.245 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.32 -139.36 5.97 Favored Glycine 0 C--N 1.347 1.193 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -153.18 102.67 2.65 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.587 0.755 . . . . 0.0 109.427 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.54 96.8 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.155 170.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 10' ' ' SER . 38.6 ttpt -123.24 151.99 41.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.427 0.691 . . . . 0.0 110.166 -167.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.1 t -60.71 -39.98 90.55 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -172.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.14 -49.63 0.54 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 126.144 1.778 . . . . 0.0 110.795 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -59.75 -53.48 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.8 0.84 . . . . 0.0 109.674 174.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.1 -50.31 9.79 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 171.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.404 ' O ' ' HD2' ' A' ' 5' ' ' LYS . 34.5 t 70.3 -0.97 2.64 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.215 1.406 . . . . 0.0 112.356 -174.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -116.13 5.18 13.73 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -172.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -151.15 141.8 22.69 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -170.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.515 ' HB3' HD23 ' A' ' 19' ' ' LEU . 14.5 p90 -169.26 144.48 3.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 128.146 2.578 . . . . 0.0 107.275 162.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -82.43 -32.24 29.1 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 p -172.06 -171.09 0.82 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.697 1.599 . . . . 0.0 107.755 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.6 -42.67 82.07 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.924 0.784 . . . . 0.0 108.891 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -69.95 -36.73 75.5 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.705 0.802 . . . . 0.0 109.475 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.32 -46.17 93.28 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 113.944 -1.48 . . . . 0.0 112.204 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 13' ' ' PHE . 1.3 tm? -65.61 -39.76 91.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.796 0.838 . . . . 0.0 112.343 176.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -56.41 -50.54 71.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.425 0.69 . . . . 0.0 110.816 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.58 -44.05 96.65 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.731 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -68.67 -26.78 65.48 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.089 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.33 -34.34 76.46 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 122.104 -0.373 . . . . 0.0 111.06 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -75.58 -15.01 60.41 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.93 0.892 . . . . 0.0 112.768 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 p -64.22 -15.84 60.81 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.212 0.605 . . . . 0.0 111.905 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -98.36 -11.46 22.47 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.177 0.591 . . . . 0.0 111.192 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 -65.01 -43.64 91.83 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 162.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.05 172.88 30.16 Favored Glycine 0 C--N 1.344 1.01 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.685 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.65 122.52 8.95 Favored 'Trans proline' 0 C--N 1.368 1.589 0 C-N-CA 122.442 2.095 . . . . 0.0 110.801 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.21 81.86 1.0 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.677 0.751 . . . . 0.0 112.812 -174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -114.57 53.65 0.8 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 169.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -171.67 168.16 6.32 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.666 -173.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -142.26 148.14 37.6 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 43.8 ttm -103.86 137.64 41.58 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.545 ' HA ' HD11 ' A' ' 48' ' ' LEU . 42.1 t -65.97 138.07 96.17 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 123.277 0.631 . . . . 0.0 112.55 -171.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' HD11 ' A' ' 48' ' ' LEU . 33.1 Cg_exo -62.85 -45.53 13.07 Favored 'Trans proline' 0 C--N 1.372 1.778 0 C-N-CA 122.519 2.146 . . . . 0.0 112.07 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.68 -54.37 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -170.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 p -118.36 0.04 11.58 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.523 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 68.14 16.13 68.41 Favored Glycine 0 N--CA 1.477 1.397 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -65.07 143.75 57.71 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 117.344 0.572 . . . . 0.0 110.67 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.56 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -111.47 131.77 54.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.616 0.766 . . . . 0.0 109.814 -170.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -130.04 152.66 80.4 Favored Pre-proline 0 N--CA 1.474 0.725 0 C-N-CA 123.924 0.89 . . . . 0.0 109.631 -176.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.72 3.93 2.03 Favored 'Trans proline' 0 C--N 1.38 2.197 0 C-N-CA 123.372 2.715 . . . . 0.0 115.603 -170.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.0 p -161.71 169.37 21.62 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.548 0.689 . . . . 0.0 111.715 173.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -88.41 62.92 6.85 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 167.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -162.18 -55.22 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.6 p -62.65 -40.36 96.79 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.573 168.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.545 HD11 ' HA ' ' A' ' 35' ' ' CYS . 2.0 tm? -63.32 -39.06 93.51 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.588 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 m -66.79 -40.58 88.17 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.417 0.687 . . . . 0.0 111.338 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.6 -44.51 93.8 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.605 0.762 . . . . 0.0 110.795 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -59.8 -39.57 85.4 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.777 0.831 . . . . 0.0 111.251 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -62.61 -50.68 70.28 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.189 0.996 . . . . 0.0 110.503 -174.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.41 -40.36 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -172.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.8 p -90.71 13.8 15.15 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.15 0.58 . . . . 0.0 111.615 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER . . . . . 0 CA--C 1.564 1.486 0 C-N-CA 125.918 1.687 . . . . 0.0 113.905 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.35 89.18 0.55 Allowed Glycine 0 C--N 1.342 0.889 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 m -158.55 106.43 1.9 Allowed 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -98.75 161.81 13.45 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -103.68 128.48 51.01 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.223 0.609 . . . . 0.0 110.119 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.2 t -75.07 117.57 17.06 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.63 -29.09 66.5 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 122.785 0.434 . . . . 0.0 111.514 -172.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.77 -49.48 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.32 0.648 . . . . 0.0 110.891 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.0 m -87.18 -26.88 23.34 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.04 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m 73.77 16.61 3.76 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.775 1.63 . . . . 0.0 111.559 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -110.55 177.95 4.53 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.178 0.991 . . . . 0.0 110.14 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -130.06 152.69 49.23 Favored 'General case' 0 C--O 1.243 0.734 0 C-N-CA 123.551 0.74 . . . . 0.0 109.963 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' HD1' ' H ' ' A' ' 15' ' ' SER . 13.6 t80 -110.14 142.12 42.09 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 171.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -65.62 -6.94 12.61 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.556 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 78.0 p -129.66 147.18 51.43 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 123.885 0.874 . . . . 0.0 109.826 170.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -55.43 -53.64 53.75 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.908 0.483 . . . . 0.0 109.855 168.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -61.06 -29.65 69.86 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.778 0.831 . . . . 0.0 111.789 -174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.38 -43.85 23.74 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.38 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.16 -48.83 74.47 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.078 0.551 . . . . 0.0 110.726 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -55.96 -35.3 66.55 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.97 0.908 . . . . 0.0 111.951 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -69.08 -40.8 78.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.051 0.94 . . . . 0.0 110.71 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -67.06 -41.58 86.2 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.793 1.237 . . . . 0.0 111.786 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.29 -31.46 69.14 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.382 1.473 . . . . 0.0 111.106 -176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.15 -18.43 47.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.558 1.143 . . . . 0.0 113.631 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -79.7 -26.47 40.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.448 0.699 . . . . 0.0 110.401 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -80.15 -9.34 59.71 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.624 0.77 . . . . 0.0 110.227 175.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -98.13 11.34 38.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.846 0.858 . . . . 0.0 109.71 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.73 -161.92 51.6 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.182 -176.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -70.9 129.11 15.88 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.119 1.88 . . . . 0.0 110.299 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.88 56.91 4.18 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.722 0.772 . . . . 0.0 110.99 -175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HE3' ' HG2' ' A' ' 41' ' ' ARG . 24.8 pttm -160.09 168.91 24.47 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.192 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -142.15 42.33 1.66 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -140.43 84.67 1.97 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 123.087 1.422 . . . . 0.0 107.977 176.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 55.9 ttp -131.18 122.04 25.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 113.632 -1.622 . . . . 0.0 106.743 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 42.7 t -75.16 122.72 87.98 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-O 119.227 -0.416 . . . . 0.0 109.912 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.48 -36.92 98.04 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.937 2.425 . . . . 0.0 113.965 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.5 mt -83.87 -55.8 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.438 ' SG ' ' HG3' ' A' ' 40' ' ' GLU . 10.2 p -120.18 -0.01 10.58 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -168.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.482 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 61.89 24.51 64.76 Favored Glycine 0 N--CA 1.475 1.269 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 169.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG3' ' SG ' ' A' ' 38' ' ' CYS . 39.8 mt-10 -65.01 135.23 55.38 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 120.872 0.368 . . . . 0.0 111.983 171.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HG2' ' HE3' ' A' ' 31' ' ' LYS . 33.8 mtp180 -95.16 137.57 34.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.726 1.21 . . . . 0.0 109.902 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.409 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 89.1 m-85 -124.44 157.78 63.84 Favored Pre-proline 0 N--CA 1.48 1.043 0 C-N-CA 123.457 0.703 . . . . 0.0 111.283 -175.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -63.63 -14.52 43.18 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.565 2.177 . . . . 0.0 112.96 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 p -152.05 172.66 15.95 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 123.604 0.762 . . . . 0.0 111.215 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 tp -95.57 54.33 1.56 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 166.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -137.25 -54.77 0.7 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 42' ' ' PHE . 1.2 p -61.0 -36.06 78.49 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.699 171.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.73 -37.48 84.75 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.304 0.642 . . . . 0.0 110.684 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 m -66.52 -47.07 74.11 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.502 0.721 . . . . 0.0 110.564 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -59.72 -47.9 83.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.027 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -63.27 -36.7 84.52 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.044 0.938 . . . . 0.0 111.979 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -61.41 -49.96 74.78 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.008 0.923 . . . . 0.0 110.318 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.532 HG23 HG23 ' A' ' 54' ' ' THR . 30.0 m -78.27 -39.63 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.532 HG23 HG23 ' A' ' 53' ' ' VAL . 70.5 p -90.15 36.12 0.87 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.894 0.878 . . . . 0.0 111.051 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 . . . . . 0 CA--C 1.552 1.057 0 C-N-CA 123.262 0.625 . . . . 0.0 110.393 -161.698 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.029 0.442 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.44 86.29 0.14 Allowed Glycine 0 C--N 1.337 0.638 0 N-CA-C 108.92 -1.672 . . . . 0.0 108.92 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -85.72 97.38 10.11 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.985 0.898 . . . . 0.0 110.736 -163.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.543 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 31.8 t-80 -51.29 130.54 27.03 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 112.909 -1.951 . . . . 0.0 109.49 159.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -89.01 154.56 20.11 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.445 0.698 . . . . 0.0 111.332 -170.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.464 ' HB2' HD21 ' A' ' 19' ' ' LEU . 42.4 t -96.35 107.64 20.04 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 170.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -53.68 -46.96 70.83 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.828 0.851 . . . . 0.0 112.633 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.79 -58.18 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.585 0.754 . . . . 0.0 112.132 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.5 m -66.04 -35.32 80.22 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.055 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 p 82.42 -11.37 1.01 Allowed 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 127.824 2.449 . . . . 0.0 110.684 -168.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -92.32 -175.49 4.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.615 1.166 . . . . 0.0 110.04 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 t -151.31 160.26 43.88 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.111 0.564 . . . . 0.0 110.853 -176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.714 ' HD1' ' H ' ' A' ' 15' ' ' SER . 5.3 t80 -93.74 151.51 19.58 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -69.75 -27.49 64.99 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.142 0.577 . . . . 0.0 111.578 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.714 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 30.5 t -99.85 150.95 21.84 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.999 1.32 . . . . 0.0 109.585 172.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -37.27 56.52 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.238 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -75.11 -42.23 56.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.74 0.816 . . . . 0.0 109.357 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.58 -37.63 33.92 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 114.943 -1.026 . . . . 0.0 114.241 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 4' ' ' HIS . 2.0 tm? -68.53 -38.59 80.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.603 0.761 . . . . 0.0 110.577 176.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -60.32 -41.08 92.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.63 0.581 . . . . 0.0 111.478 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.98 -42.17 76.93 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.225 0.536 . . . . 0.0 110.761 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.09 -27.09 66.71 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.549 1.139 . . . . 0.0 111.888 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -67.98 -20.95 65.09 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.824 0.85 . . . . 0.0 111.231 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -72.24 -20.9 61.47 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.564 0.745 . . . . 0.0 112.081 -176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.9 p -72.51 -8.05 53.12 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.552 0.741 . . . . 0.0 112.022 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -120.31 8.8 10.89 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.367 0.667 . . . . 0.0 112.051 -173.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -56.26 -44.28 79.55 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.825 0.45 . . . . 0.0 111.331 175.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.47 177.96 48.53 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.619 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -69.42 146.36 62.07 Favored 'Trans proline' 0 C--N 1.366 1.463 0 C-N-CA 122.789 2.326 . . . . 0.0 111.206 172.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.39 86.79 2.38 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 123.695 0.798 . . . . 0.0 108.878 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -158.32 36.34 0.24 Allowed 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.406 0.622 . . . . 0.0 110.994 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -97.42 38.98 1.22 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.459 0.703 . . . . 0.0 109.627 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -82.41 110.86 17.92 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.098 0.559 . . . . 0.0 110.223 -170.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.3 ttm -119.84 142.17 48.87 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.899 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' N ' HD21 ' A' ' 48' ' ' LEU . 7.9 t -59.47 131.22 88.03 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 124.65 1.18 . . . . 0.0 112.731 -176.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -60.47 -43.22 34.91 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 123.085 2.523 . . . . 0.0 113.658 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.93 -53.85 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 30.3 p -125.31 10.07 7.97 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -173.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.86 41.03 97.53 Favored Glycine 0 N--CA 1.478 1.458 0 N-CA-C 119.026 2.37 . . . . 0.0 119.026 161.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 20.1 mp0 -72.46 130.16 40.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.584 0.754 . . . . 0.0 109.65 162.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -90.2 129.19 36.49 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.324 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -122.7 151.62 60.72 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 123.913 0.885 . . . . 0.0 110.137 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.36 -14.73 45.42 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 123.382 2.722 . . . . 0.0 113.804 -176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 p -151.58 164.0 37.83 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.518 0.675 . . . . 0.0 111.717 -176.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.27 57.46 4.04 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 85.3 mt -146.63 -55.95 0.26 Allowed 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.9 p -71.25 -37.92 71.94 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 113.802 -1.544 . . . . 0.0 111.544 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 35' ' ' CYS . 3.0 tm? -61.79 -43.81 98.12 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.552 0.741 . . . . 0.0 110.024 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.0 m -63.23 -41.69 99.14 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 124.105 0.878 . . . . 0.0 111.426 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 46.9 mt-10 -58.15 -42.54 86.12 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.559 0.744 . . . . 0.0 111.208 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -64.82 -42.03 95.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.723 0.64 . . . . 0.0 111.136 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 39.6 ttpt -67.71 -37.63 82.52 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.405 -173.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.9 m -76.85 -28.48 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 122.461 0.304 . . . . 0.0 111.663 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.8 p -87.98 12.97 11.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.143 0.577 . . . . 0.0 112.183 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.56 1.331 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.243 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.806 0.336 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.13 127.53 3.14 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 m -122.38 98.16 5.8 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.902 0.858 . . . . 0.0 109.784 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -92.06 71.67 5.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.203 166.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -129.07 134.47 48.11 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.045 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.88 97.59 1.44 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -56.34 -36.99 69.37 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.236 1.014 . . . . 0.0 112.499 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.44 -47.7 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.705 0.802 . . . . 0.0 111.293 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.9 m -85.67 -33.4 21.58 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.291 0.636 . . . . 0.0 111.602 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t 77.44 11.62 2.18 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 126.694 1.998 . . . . 0.0 111.579 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.2 149.91 22.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.144 0.977 . . . . 0.0 110.251 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -93.87 155.52 17.14 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.645 0.736 . . . . 0.0 111.658 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -81.61 -175.12 5.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.561 169.292 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -125.93 -52.17 1.55 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 171.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.8 p -116.3 153.56 31.73 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 125.037 1.335 . . . . 0.0 108.123 171.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.25 -33.82 76.61 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.659 0.384 . . . . 0.0 111.322 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -73.51 -26.13 60.75 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.13 -38.99 96.74 Favored Glycine 0 C--N 1.353 1.512 0 O-C-N 123.91 0.756 . . . . 0.0 112.244 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.08 -48.8 78.56 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.965 0.506 . . . . 0.0 109.805 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -60.92 -31.24 70.77 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.224 0.952 . . . . 0.0 112.309 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -67.38 -48.95 65.89 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.047 0.939 . . . . 0.0 109.269 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -68.56 -28.36 66.89 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.084 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.45 -33.91 70.26 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.863 1.265 . . . . 0.0 112.285 -173.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -74.91 -19.25 60.21 Favored 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.538 -169.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.1 p -76.86 -9.4 58.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.05 0.54 . . . . 0.0 112.182 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -99.98 4.37 44.82 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.079 0.552 . . . . 0.0 110.74 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -138.06 16.28 2.83 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.644 0.778 . . . . 0.0 110.247 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.95 148.55 24.62 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-O 119.029 -0.873 . . . . 0.0 111.574 173.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -58.16 122.79 12.3 Favored 'Trans proline' 0 C--N 1.369 1.648 0 C-N-CA 123.111 2.541 . . . . 0.0 111.912 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.51 76.5 1.34 Allowed 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.791 0.836 . . . . 0.0 109.306 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -98.16 148.09 23.92 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.216 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -93.28 126.06 38.2 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 170.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -143.95 82.16 1.71 Allowed 'General case' 0 C--O 1.242 0.702 0 CA-C-O 122.597 1.189 . . . . 0.0 107.831 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.5 ttt -134.11 134.55 42.38 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 113.721 -1.581 . . . . 0.0 107.456 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 40' ' ' GLU . 10.0 t -60.42 132.48 90.73 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.744 0.818 . . . . 0.0 112.118 -176.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -66.2 -39.45 18.0 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.564 2.176 . . . . 0.0 112.965 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.8 mt -80.75 -52.61 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.427 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 28.0 p -128.82 8.47 5.75 Favored 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.61 39.72 97.88 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 118.616 2.206 . . . . 0.0 118.616 162.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 19.0 mp0 -70.89 125.06 25.81 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.513 0.725 . . . . 0.0 110.54 166.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 140.59 29.4 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 168.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -118.36 175.93 1.88 Allowed Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 123.328 0.651 . . . . 0.0 111.826 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.98 -39.87 47.42 Favored 'Trans proline' 0 C--N 1.392 2.852 0 C-N-CA 122.608 2.205 . . . . 0.0 112.96 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.6 m -155.15 176.49 12.48 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.656 0.782 . . . . 0.0 110.442 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 tp -85.99 76.15 9.87 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.703 0.801 . . . . 0.0 109.96 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -156.71 -53.36 0.08 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.4 p -67.74 -25.49 65.66 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.643 174.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.91 -41.05 87.76 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.778 0.674 . . . . 0.0 110.257 172.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.6 m -65.51 -42.63 91.85 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.115 0.966 . . . . 0.0 110.541 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -62.83 -42.15 99.62 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.849 -1.068 . . . . 0.0 111.228 176.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -62.5 -34.76 77.52 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.108 0.563 . . . . 0.0 111.593 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -67.12 -42.29 84.75 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 123.865 0.728 . . . . 0.0 111.624 -177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.19 -36.18 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.03 0 C-N-CA 123.015 0.526 . . . . 0.0 112.006 -175.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.5 p -97.95 38.48 1.3 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.942 0.897 . . . . 0.0 110.895 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 CA--C 1.559 1.298 0 C-N-CA 122.71 0.404 . . . . 0.0 111.457 -165.19 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.1 44.53 60.33 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 123.451 0.469 . . . . 0.0 112.266 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -110.33 97.32 6.81 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -109.42 70.09 0.72 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.094 170.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 142.26 33.56 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 162.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.83 103.88 10.97 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -42.45 -54.29 3.92 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.943 1.697 . . . . 0.0 113.665 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.11 -45.77 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 124.106 0.879 . . . . 0.0 111.448 -173.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.4 m -81.85 -34.23 30.25 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.354 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p 76.6 2.13 3.38 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 128.712 2.805 . . . . 0.0 112.957 -170.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -84.1 149.84 25.95 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.956 0.902 . . . . 0.0 110.599 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 t -91.54 162.03 14.7 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.751 0.82 . . . . 0.0 112.25 -174.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -178.83 6.89 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.255 169.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -135.56 -42.65 0.69 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 166.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -110.84 139.2 46.36 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.745 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.3 -36.83 79.92 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.226 0.61 . . . . 0.0 111.748 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -74.23 -25.73 59.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.332 0.653 . . . . 0.0 110.372 176.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.03 -40.72 98.45 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 124.004 0.815 . . . . 0.0 113.21 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.59 -46.82 87.82 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.338 0.59 . . . . 0.0 109.924 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -68.25 -30.85 69.98 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.609 -175.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -71.78 -46.19 59.15 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.062 0.945 . . . . 0.0 109.859 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -62.3 -27.05 68.77 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.195 -1.366 . . . . 0.0 111.602 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -59.24 -20.25 52.52 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.705 0.802 . . . . 0.0 113.159 -174.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -76.57 -22.66 53.99 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.016 0.927 . . . . 0.0 112.124 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 p -61.73 -23.73 66.34 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.446 1.099 . . . . 0.0 113.936 -168.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.34 -3.63 8.92 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.348 0.659 . . . . 0.0 111.485 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -90.8 -26.96 19.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.653 0.264 . . . . 0.0 110.941 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.2 174.1 13.69 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-O 119.51 -0.606 . . . . 0.0 111.942 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.87 142.58 12.65 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 122.421 2.081 . . . . 0.0 112.725 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.67 -15.85 43.93 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.89 0.876 . . . . 0.0 111.11 177.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 43' ' ' PRO . 33.7 mtmt -116.88 109.36 16.97 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.8 23.13 5.78 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.765 0.793 . . . . 0.0 110.028 -173.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -98.39 91.07 5.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.332 0.586 . . . . 0.0 109.476 -172.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.4 ttp -97.52 141.86 30.06 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.645 1.178 . . . . 0.0 109.374 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.402 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 2.8 t -62.42 133.22 94.5 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 123.925 0.89 . . . . 0.0 111.544 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.1 -44.12 47.0 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 123.014 2.476 . . . . 0.0 113.543 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.7 mt -89.73 -54.86 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.21 0 N-CA-C 113.061 0.764 . . . . 0.0 113.061 -168.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.475 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 19.0 p -120.92 9.32 10.6 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.41 34.94 91.31 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 118.307 2.083 . . . . 0.0 118.307 163.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 20.7 mp0 -70.16 126.01 28.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.228 1.011 . . . . 0.0 110.305 164.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' H ' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -88.61 132.55 34.5 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 174.77 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -124.22 154.84 68.73 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 123.867 0.867 . . . . 0.0 110.565 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HA ' ' HD2' ' A' ' 31' ' ' LYS . 39.5 Cg_endo -63.01 -22.59 73.82 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 123.136 2.557 . . . . 0.0 114.631 -175.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.7 p -149.06 165.5 31.51 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.362 0.601 . . . . 0.0 111.697 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tt -88.85 60.12 5.36 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 172.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 3.9 tt -158.22 -54.71 0.07 Allowed 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 p -63.2 -43.02 99.35 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 123.975 0.797 . . . . 0.0 110.818 171.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.5 -36.82 83.74 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.265 0.626 . . . . 0.0 109.901 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -65.64 -41.59 92.44 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.962 0.789 . . . . 0.0 111.361 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 16.7 mm-40 -58.23 -43.15 87.63 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.386 0.674 . . . . 0.0 110.85 176.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -68.89 -34.57 75.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.25 0.62 . . . . 0.0 110.895 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.55 -43.78 68.81 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.992 0.917 . . . . 0.0 111.909 -176.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.493 HG23 HG23 ' A' ' 54' ' ' THR . 34.6 m -78.19 -42.77 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 123.124 0.569 . . . . 0.0 112.177 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.493 HG23 HG23 ' A' ' 53' ' ' VAL . 74.8 p -97.96 29.4 3.47 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.278 0.631 . . . . 0.0 110.317 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 CA--C 1.556 1.2 0 C-N-CA 124.477 1.111 . . . . 0.0 112.11 176.679 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.854 0.359 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 122.71 -145.7 16.4 Favored Glycine 0 C--N 1.347 1.148 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 m -152.29 103.43 2.85 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.124 0.57 . . . . 0.0 109.699 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -68.78 76.75 0.3 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 159.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -130.47 144.45 51.41 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 125.483 1.513 . . . . 0.0 106.969 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.5 104.05 0.11 Allowed 'General case' 0 C--O 1.21 -0.987 0 C-N-CA 124.322 1.049 . . . . 0.0 112.307 -169.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -58.42 -21.51 51.06 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -75.92 -58.21 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 C-N-CA 123.399 0.68 . . . . 0.0 110.801 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.4 m -89.6 -51.27 5.61 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 122.993 0.517 . . . . 0.0 111.219 -175.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 m 78.27 8.89 2.22 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.482 1.913 . . . . 0.0 112.424 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -59.61 -54.05 50.91 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -178.09 179.15 0.86 Allowed 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.525 0.679 . . . . 0.0 112.482 -160.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -168.35 152.7 6.1 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.841 2.056 . . . . 0.0 106.92 168.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -83.98 -52.01 6.67 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 t -149.71 -171.78 3.98 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 113.556 -1.656 . . . . 0.0 107.066 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.67 -35.91 81.18 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 118.488 0.585 . . . . 0.0 109.703 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -72.54 -33.68 67.0 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.753 0.821 . . . . 0.0 109.491 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.37 -46.35 91.92 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.998 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.86 -40.75 97.28 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.106 0.562 . . . . 0.0 111.68 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -58.12 -40.95 82.54 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.064 0.546 . . . . 0.0 111.71 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.85 -45.06 94.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.702 0.801 . . . . 0.0 109.584 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -65.37 -34.27 77.92 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.286 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.8 -22.09 63.79 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.205 1.002 . . . . 0.0 112.044 -171.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -64.57 -13.96 55.4 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.762 1.225 . . . . 0.0 113.441 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.1 p -71.45 -14.01 62.01 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.076 0.55 . . . . 0.0 110.443 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -119.47 19.12 12.75 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.334 1.054 . . . . 0.0 110.387 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -72.05 -25.09 61.65 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.559 0.344 . . . . 0.0 110.833 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.65 170.86 48.14 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.069 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -65.94 144.45 76.66 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 122.782 2.321 . . . . 0.0 111.667 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.25 26.8 2.09 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.817 0.847 . . . . 0.0 110.104 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -92.44 121.61 34.08 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 124.368 1.067 . . . . 0.0 109.512 -170.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -174.31 141.98 0.76 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.241 1.016 . . . . 0.0 108.907 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.431 ' HD2' ' HG ' ' A' ' 48' ' ' LEU . 3.6 t80 -134.82 147.17 49.87 Favored 'General case' 0 C--O 1.243 0.717 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 169.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 54.9 ttp -106.39 129.65 54.35 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.041 1.336 . . . . 0.0 107.459 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.493 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 36.4 t -61.77 129.06 91.25 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 122.305 0.242 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.36 -28.48 71.79 Favored 'Trans proline' 0 C--N 1.367 1.533 0 C-N-CA 122.429 2.086 . . . . 0.0 112.797 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.6 mt -94.62 -51.41 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.5 p -131.24 15.48 5.08 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.493 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 43.54 36.92 3.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 120.491 2.957 . . . . 0.0 120.491 161.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.73 156.18 25.13 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 118.773 1.287 . . . . 0.0 110.476 165.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -83.39 126.43 32.72 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.981 0.912 . . . . 0.0 111.026 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -119.91 141.85 32.13 Favored Pre-proline 0 N--CA 1.481 1.099 0 C-N-CA 123.144 0.578 . . . . 0.0 110.216 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -69.47 -6.06 17.54 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 123.52 2.813 . . . . 0.0 114.374 -174.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -154.38 167.99 28.13 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.77 0.795 . . . . 0.0 111.665 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.98 47.75 1.44 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 113.891 -1.504 . . . . 0.0 107.466 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 78.0 mt -144.69 -53.38 0.31 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -64.52 -36.31 83.78 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.714 174.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HG ' ' HD2' ' A' ' 33' ' ' TYR . 3.1 tm? -63.16 -40.54 97.84 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.31 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.4 m -64.72 -39.67 94.03 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.75 0.82 . . . . 0.0 111.44 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 35.4 mm-40 -59.66 -46.31 89.4 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.702 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -61.52 -41.43 97.3 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.12 0.968 . . . . 0.0 111.181 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.53 -35.02 75.07 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.236 1.015 . . . . 0.0 112.811 -172.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.6 m -78.11 -29.05 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 122.465 0.306 . . . . 0.0 111.291 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -95.66 33.96 1.56 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.554 0.741 . . . . 0.0 110.813 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 . . . . . 0 CA--C 1.55 0.968 0 CA-C-O 119.443 -0.313 . . . . 0.0 110.208 -165.773 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.6 56.81 0.16 Allowed Glycine 0 C--N 1.337 0.629 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -159.93 107.02 1.64 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.835 0.854 . . . . 0.0 108.934 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -128.71 151.08 49.94 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -89.99 116.13 27.8 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.962 0.801 . . . . 0.0 110.598 -171.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.25 93.0 2.79 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 163.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -40.17 -45.19 1.98 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 125.661 1.584 . . . . 0.0 114.874 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -55.69 -45.35 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 123.959 0.904 . . . . 0.0 111.035 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -88.58 -31.78 18.46 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.973 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t 72.41 8.83 5.78 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.292 1.837 . . . . 0.0 111.413 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -107.74 -174.74 2.6 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.499 0.719 . . . . 0.0 110.214 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -148.55 160.25 43.28 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.361 0.6 . . . . 0.0 112.412 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' HD1' ' H ' ' A' ' 15' ' ' SER . 22.0 t80 -99.97 152.06 20.62 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 169.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.21 1.12 1.11 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.563 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 30.0 t -133.82 146.56 50.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.552 1.141 . . . . 0.0 109.237 172.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.3 91.68 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.584 0.552 . . . . 0.0 110.193 173.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -70.91 -27.76 64.02 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.841 0.857 . . . . 0.0 110.104 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.39 -37.89 40.19 Favored Glycine 0 C--N 1.344 0.988 0 O-C-N 123.995 0.81 . . . . 0.0 112.217 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -64.56 -46.4 82.97 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.945 0.898 . . . . 0.0 110.382 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.607 HH21 HD13 ' A' ' 23' ' ' LEU . 2.9 mmp_? -53.93 -48.44 70.22 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.697 0.799 . . . . 0.0 111.257 172.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.29 -26.96 66.8 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.687 0.795 . . . . 0.0 111.431 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -73.3 -46.93 46.75 Favored 'General case' 0 C--O 1.208 -1.081 0 C-N-CA 123.019 0.528 . . . . 0.0 110.134 172.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.607 HD13 HH21 ' A' ' 20' ' ' ARG . 7.0 tt -66.78 -26.29 66.89 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.876 0.87 . . . . 0.0 112.752 -167.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -64.26 -13.81 51.78 Favored 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.1 p -68.7 -25.16 64.64 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.234 0.613 . . . . 0.0 110.53 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -93.47 -27.18 16.84 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.353 0.661 . . . . 0.0 109.29 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -68.2 -35.53 78.13 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.487 0.715 . . . . 0.0 110.55 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.5 149.53 51.19 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-O 119.113 -0.826 . . . . 0.0 111.748 168.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.07 120.1 7.02 Favored 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 122.129 1.886 . . . . 0.0 112.287 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.08 100.75 10.7 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -141.9 148.2 38.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.948 0.899 . . . . 0.0 109.164 -170.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -175.43 -179.68 1.32 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.753 0.821 . . . . 0.0 110.135 -169.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -137.48 108.03 6.55 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 28.0 ttt -130.35 122.03 27.11 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 54.0 t -82.82 112.01 34.24 Favored Pre-proline 0 CA--C 1.544 0.746 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 172.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -27.75 -55.8 0.12 Allowed 'Trans proline' 0 C--N 1.391 2.809 1 C-N-CA 126.087 4.525 . . . . 0.0 116.447 -166.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.3 mt -89.98 -49.96 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 C-N-CA 123.218 0.607 . . . . 0.0 111.654 -172.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.842 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -101.2 -41.91 6.54 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -167.467 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.404 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 79.05 39.69 19.02 Favored Glycine 0 C--N 1.354 1.564 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 175.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.842 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 25.7 mm-40 -63.98 123.47 19.08 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 172.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.03 133.81 48.6 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.141 0.977 . . . . 0.0 110.901 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -138.03 154.14 74.02 Favored Pre-proline 0 N--CA 1.482 1.172 0 C-N-CA 123.576 0.75 . . . . 0.0 110.878 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -57.37 -24.29 59.71 Favored 'Trans proline' 0 C--N 1.385 2.456 0 C-N-CA 123.7 2.933 . . . . 0.0 114.139 -176.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.4 m -155.71 166.29 33.96 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.536 0.735 . . . . 0.0 110.401 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -89.06 61.78 5.99 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-O 122.273 1.035 . . . . 0.0 108.582 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -149.96 -55.83 0.17 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -61.37 -36.13 79.37 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.567 172.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.7 -43.64 98.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.106 0.962 . . . . 0.0 110.244 172.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.43 HG23 ' NZ ' ' A' ' 52' ' ' LYS . 21.1 m -65.86 -45.88 80.5 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.622 0.769 . . . . 0.0 111.506 -175.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -59.33 -39.04 81.86 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.12 0.968 . . . . 0.0 111.103 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -70.59 -45.31 65.58 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' NZ ' HG23 ' A' ' 49' ' ' THR . 20.8 pttm -65.4 -34.07 77.45 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -165.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.38 -29.08 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.524 0.73 . . . . 0.0 111.927 -174.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.2 p -75.77 13.28 0.85 Allowed 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -176.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 . . . . . 0 CA--C 1.547 0.837 0 CA-C-O 118.585 -0.721 . . . . 0.0 109.339 173.496 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mmm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.63 -113.66 2.74 Favored Glycine 0 C--N 1.355 1.602 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -143.5 99.05 3.36 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 167.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -89.07 69.85 8.41 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.518 1.152 . . . . 0.0 108.829 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -109.21 133.44 53.02 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.058 -1.428 . . . . 0.0 108.337 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.5 t -75.31 92.98 2.82 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 172.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -49.24 -38.04 25.38 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 124.861 1.264 . . . . 0.0 113.293 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 t -58.99 -45.54 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.749 0.785 . . . . 0.0 111.138 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.8 m -84.38 -27.7 27.47 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.247 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 p 70.97 11.47 7.03 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.672 2.389 . . . . 0.0 111.744 -169.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -97.35 165.44 12.02 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.253 1.021 . . . . 0.0 111.559 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 t -96.5 160.24 14.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.457 0.703 . . . . 0.0 112.34 -172.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -77.67 -174.99 3.67 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.419 169.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -125.48 -59.19 1.39 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 105.69 -1.966 . . . . 0.0 105.69 170.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 p -109.53 153.75 23.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.191 0.997 . . . . 0.0 108.833 168.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -65.87 -33.18 75.25 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.837 0.455 . . . . 0.0 110.653 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -73.09 -30.74 63.89 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.421 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.33 99.16 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.426 175.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.14 -44.01 92.04 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.086 0.555 . . . . 0.0 110.586 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -60.99 -47.46 86.37 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.592 0.757 . . . . 0.0 112.25 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.54 -42.41 92.28 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.897 0.879 . . . . 0.0 110.626 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -67.96 -39.3 83.39 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.407 1.083 . . . . 0.0 110.29 176.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.42 -35.34 69.95 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.422 1.089 . . . . 0.0 111.85 -171.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -72.16 -17.17 61.97 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.019 0.928 . . . . 0.0 112.905 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -9.26 58.52 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.792 0.437 . . . . 0.0 111.281 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -104.18 -14.23 15.93 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.015 0.526 . . . . 0.0 111.058 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -70.32 38.03 0.05 OUTLIER 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 125.138 1.375 . . . . 0.0 112.773 168.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.79 167.37 18.66 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.99 162.51 31.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 123.362 2.708 . . . . 0.0 112.249 178.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.52 86.79 2.08 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 173.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -134.41 -7.81 2.56 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.163 0.985 . . . . 0.0 110.918 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -111.64 74.86 0.89 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -72.79 111.36 7.86 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.129 -167.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 56.8 ttp -106.49 133.02 51.81 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.366 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 35.2 t -60.12 116.58 18.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 123.998 0.919 . . . . 0.0 111.571 -176.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -63.54 -25.81 69.87 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 123.046 2.497 . . . . 0.0 112.551 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.3 mt -78.84 -53.91 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 O-C-N 123.558 0.536 . . . . 0.0 112.213 -173.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.497 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 23.3 p -127.25 -39.56 1.89 Allowed 'General case' 0 C--N 1.362 1.114 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 35' ' ' CYS . . . 119.62 49.08 0.32 Allowed Glycine 0 C--N 1.363 2.047 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 157.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 14.7 mp0 -79.69 125.44 29.65 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.669 1.188 . . . . 0.0 110.171 168.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -83.81 123.32 29.77 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.409 ' HD2' HD23 ' A' ' 48' ' ' LEU . 51.4 m-85 -116.93 155.25 49.47 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.342 1.057 . . . . 0.0 110.437 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.08 -22.83 25.58 Favored 'Trans proline' 0 C--N 1.387 2.561 0 C-N-CA 122.83 2.353 . . . . 0.0 112.668 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.6 p -158.36 168.89 25.76 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 121.505 0.669 . . . . 0.0 111.785 -171.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -87.58 71.0 9.8 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.5 mt -152.1 -54.23 0.13 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -72.74 -37.47 67.72 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.461 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.409 HD23 ' HD2' ' A' ' 42' ' ' PHE . 3.2 tm? -59.67 -39.32 84.07 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.915 0.486 . . . . 0.0 109.899 172.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.5 m -62.15 -41.85 98.69 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.571 0.749 . . . . 0.0 111.623 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.74 -37.55 87.8 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.362 0.665 . . . . 0.0 111.201 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.61 -50.42 31.0 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.757 0.823 . . . . 0.0 112.613 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -62.5 -35.07 78.22 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.602 0.761 . . . . 0.0 112.064 -174.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.6 m -74.91 -29.68 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 C-N-CA 122.677 0.391 . . . . 0.0 111.724 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.6 p -97.42 12.74 32.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.989 0.516 . . . . 0.0 112.058 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 123.531 0.732 . . . . 0.0 110.645 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.51 74.17 0.02 OUTLIER Glycine 0 C--N 1.342 0.871 0 N-CA-C 109.946 -1.262 . . . . 0.0 109.946 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 t -157.69 104.96 1.99 Allowed 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -140.06 150.81 44.82 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -88.96 134.17 34.06 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.284 0.947 . . . . 0.0 111.367 -170.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.4 t -88.52 104.56 16.94 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 165.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -47.87 -43.99 28.95 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.368 1.067 . . . . 0.0 113.632 -170.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.77 -45.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.191 0.996 . . . . 0.0 111.525 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.2 m -87.38 -32.22 19.69 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.125 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.2 p 66.23 16.02 10.29 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 126.802 2.041 . . . . 0.0 112.305 -169.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -114.98 -176.9 3.0 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.438 1.095 . . . . 0.0 110.748 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -148.22 164.2 34.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.657 0.783 . . . . 0.0 111.196 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -107.49 149.48 27.91 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.963 1.305 . . . . 0.0 109.818 173.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -53.93 -25.61 21.3 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.831 1.252 . . . . 0.0 113.272 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 m -110.22 136.06 50.01 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 171.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -36.09 82.93 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.201 0.6 . . . . 0.0 109.719 173.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -73.1 -28.03 62.04 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.255 1.022 . . . . 0.0 111.176 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.11 -35.6 64.3 Favored Glycine 0 C--N 1.344 1.007 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.9 -45.64 67.15 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.28 1.032 . . . . 0.0 110.456 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -59.92 -43.73 94.72 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.52 0.728 . . . . 0.0 111.896 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.58 -43.11 89.35 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.544 0.737 . . . . 0.0 109.925 173.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -64.8 -36.36 84.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.378 1.071 . . . . 0.0 111.559 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.64 -24.99 65.98 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.41 -22.31 63.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.654 1.182 . . . . 0.0 113.05 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 p -72.11 -17.1 62.01 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.5 0.72 . . . . 0.0 111.284 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -104.53 7.05 35.14 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.426 0.69 . . . . 0.0 111.793 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -72.32 -24.02 61.25 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.64 -164.47 35.18 Favored Glycine 0 C--N 1.349 1.265 0 CA-C-O 119.816 -0.435 . . . . 0.0 113.695 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.98 150.3 48.49 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.124 2.55 . . . . 0.0 112.033 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.83 64.53 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.615 0.766 . . . . 0.0 110.252 -174.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -77.64 1.46 19.69 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.398 0.679 . . . . 0.0 112.825 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 44.22 79.14 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.186 1.395 . . . . 0.0 112.777 173.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.435 ' HD2' ' HG ' ' A' ' 48' ' ' LEU . 8.3 t80 -82.38 142.8 31.68 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.075 -172.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 49.8 ttm -98.48 140.48 32.66 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.644 1.178 . . . . 0.0 108.046 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.569 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 48.5 t -68.62 126.87 93.16 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.087 -0.482 . . . . 0.0 110.678 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.95 -37.28 94.34 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.863 2.375 . . . . 0.0 111.879 174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.6 mt -84.19 -54.09 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.281 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.747 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 13.9 p -129.83 12.12 5.72 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -174.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.569 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 60.29 22.96 59.36 Favored Glycine 0 N--CA 1.48 1.596 0 N-CA-C 117.368 1.707 . . . . 0.0 117.368 173.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.747 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 18.2 mm-40 -61.64 133.27 55.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 117.386 0.593 . . . . 0.0 110.69 168.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -89.27 125.83 35.26 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.582 0.753 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -132.06 146.61 62.41 Favored Pre-proline 0 N--CA 1.476 0.864 0 C-N-CA 123.976 0.91 . . . . 0.0 109.516 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -59.88 -19.88 56.97 Favored 'Trans proline' 0 C--N 1.381 2.278 0 C-N-CA 123.836 3.024 . . . . 0.0 115.07 -171.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 p -150.74 172.02 16.25 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.716 0.769 . . . . 0.0 111.799 -171.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.47 43.83 1.17 Allowed 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.099 -1.409 . . . . 0.0 108.005 175.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -141.72 -53.87 0.45 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.2 p -68.74 -33.48 73.99 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.453 -1.248 . . . . 0.0 111.912 174.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 35' ' ' CYS . 2.2 tm? -70.36 -38.79 74.84 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 172.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 m -62.62 -46.07 89.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.456 0.702 . . . . 0.0 111.316 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.41 -38.21 90.25 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.514 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -63.46 -43.73 96.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.113 0.965 . . . . 0.0 110.86 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 55' ' ' HIS . 36.0 ttpt -68.99 -35.26 76.5 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.127 -172.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -80.04 -35.63 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 122.819 0.448 . . . . 0.0 112.153 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 p -94.79 36.98 1.15 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.144 0.978 . . . . 0.0 110.707 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 52' ' ' LYS . 17.9 t-80 . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 123.105 0.562 . . . . 0.0 110.333 -162.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.0 mtp . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.46 -152.79 24.05 Favored Glycine 0 C--N 1.347 1.178 0 O-C-N 123.426 0.454 . . . . 0.0 112.902 172.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -156.87 105.07 2.16 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.407 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 8.4 m-70 -98.55 159.38 14.99 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -170.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -101.19 120.59 40.46 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 123.383 0.673 . . . . 0.0 109.33 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.488 ' HB2' HD21 ' A' ' 19' ' ' LEU . 40.9 t -70.19 96.47 1.09 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.79 -29.98 13.02 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.401 1.08 . . . . 0.0 112.036 173.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 t -68.5 -49.9 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.738 0.815 . . . . 0.0 110.927 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.2 m -91.51 -86.82 0.22 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.8 m 175.41 -51.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.48 1.512 . . . . 0.0 109.58 -172.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HG3' ' H ' ' A' ' 12' ' ' THR . 21.8 tpp180 -85.73 -176.94 6.24 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.846 0.859 . . . . 0.0 111.309 -164.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.535 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 9.9 t -128.73 156.25 43.81 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 125.079 1.351 . . . . 0.0 109.242 -169.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.604 ' HD1' ' H ' ' A' ' 15' ' ' SER . 6.9 t80 -108.22 138.63 44.17 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -46.94 -36.58 7.81 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.019 1.328 . . . . 0.0 113.533 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.604 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 59.9 p -108.56 141.29 40.68 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.53 0.732 . . . . 0.0 109.955 175.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.11 -46.34 79.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.141 0.976 . . . . 0.0 110.608 171.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -56.22 -33.47 65.4 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.746 1.219 . . . . 0.0 111.602 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.45 -40.86 31.8 Favored Glycine 0 C--N 1.344 1.011 0 O-C-N 124.134 0.896 . . . . 0.0 112.154 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.2 tm? -65.25 -44.41 88.24 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 117.479 0.639 . . . . 0.0 109.585 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -53.4 -46.65 69.78 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 124.273 0.983 . . . . 0.0 111.397 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.37 -38.33 90.66 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.253 1.021 . . . . 0.0 110.833 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -70.66 -34.89 72.52 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.775 1.23 . . . . 0.0 111.086 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tt -65.42 -34.28 77.92 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.964 1.305 . . . . 0.0 111.568 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -56.85 -24.68 53.11 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.901 0.88 . . . . 0.0 112.507 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.0 p -78.23 -25.98 47.18 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 123.783 0.833 . . . . 0.0 111.093 -172.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -78.06 -26.62 48.34 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.179 0.592 . . . . 0.0 112.354 -171.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -89.48 32.96 0.83 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.345 0.658 . . . . 0.0 110.018 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.99 177.02 44.79 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 119.323 -0.709 . . . . 0.0 111.571 -171.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -69.19 118.69 5.83 Favored 'Trans proline' 0 C--N 1.365 1.426 0 CA-C-N 119.763 1.781 . . . . 0.0 109.498 172.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.8 74.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.835 1.254 . . . . 0.0 113.621 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -144.78 17.49 1.63 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.366 2.266 . . . . 0.0 106.856 172.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -106.95 162.32 13.94 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.2 1.4 . . . . 0.0 111.264 -166.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -119.81 133.0 55.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.027 0.931 . . . . 0.0 110.246 -176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.8 ttt -113.06 141.16 47.2 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.999 0.919 . . . . 0.0 109.459 -172.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.02 134.59 92.93 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.891 0.877 . . . . 0.0 112.338 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.88 -47.4 8.73 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.71 2.274 . . . . 0.0 112.683 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.5 mt -78.15 -54.48 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -169.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.483 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 8.5 p -123.86 7.7 8.72 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.97 34.31 88.45 Favored Glycine 0 N--CA 1.483 1.771 0 N-CA-C 117.89 1.916 . . . . 0.0 117.89 164.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 18.2 mp0 -59.41 141.29 54.97 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.432 1.093 . . . . 0.0 111.143 165.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -90.72 127.99 36.51 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 124.024 0.929 . . . . 0.0 110.008 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -136.74 140.96 33.47 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 123.378 0.671 . . . . 0.0 109.227 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.37 -13.1 32.79 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.173 2.582 . . . . 0.0 113.974 -174.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.0 p -148.29 166.97 26.41 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.378 0.609 . . . . 0.0 111.385 -172.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.5 43.07 1.13 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -139.02 -54.85 0.59 Allowed 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.4 p -60.56 -38.09 83.42 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.113 169.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.88 -36.87 85.77 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.148 0.579 . . . . 0.0 109.879 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.0 m -64.35 -46.06 85.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.432 0.693 . . . . 0.0 111.291 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.38 -48.93 68.2 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 123.141 0.577 . . . . 0.0 111.711 172.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -60.92 -38.02 84.3 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.647 0.379 . . . . 0.0 111.407 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -71.47 -39.6 70.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.917 0.887 . . . . 0.0 111.292 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -82.33 -36.06 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.017 0.527 . . . . 0.0 111.563 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.8 p -82.42 13.1 3.83 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.119 0.567 . . . . 0.0 111.974 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 CA--C 1.559 1.301 0 C-N-CA 123.454 0.701 . . . . 0.0 111.43 -179.549 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.97 -167.9 33.65 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.118 -0.492 . . . . 0.0 113.02 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -148.38 103.64 3.45 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 123.417 0.687 . . . . 0.0 109.764 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.419 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 40.1 t-80 -57.88 90.0 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 166.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -89.03 150.3 22.85 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.612 -173.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.54 99.55 8.87 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -46.82 -43.24 18.29 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.136 1.374 . . . . 0.0 113.907 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.86 -48.84 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 123.447 0.699 . . . . 0.0 111.123 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.6 m -74.74 -36.21 62.64 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.249 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m 69.13 8.79 7.03 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.61 1.564 . . . . 0.0 111.93 -167.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -106.19 164.89 11.64 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.539 0.736 . . . . 0.0 111.188 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.4 p -115.88 162.04 17.91 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.216 1.006 . . . . 0.0 112.511 -166.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' HB3' HD23 ' A' ' 19' ' ' LEU . 40.3 p90 -78.61 -174.72 4.0 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -176.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -111.13 -61.18 1.73 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 170.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.5 p -107.2 158.77 16.84 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.791 0.836 . . . . 0.0 109.285 172.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.06 -41.47 95.08 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.227 0.611 . . . . 0.0 111.464 -172.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -75.12 -21.82 58.62 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.53 0.732 . . . . 0.0 110.203 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.91 -37.66 91.38 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.823 174.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 4' ' ' HIS . 1.3 tm? -70.47 -42.08 71.92 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -62.39 -41.62 98.79 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.144 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.41 -45.16 73.37 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.751 0.82 . . . . 0.0 110.436 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -61.68 -31.14 71.25 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.688 0.795 . . . . 0.0 111.908 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.44 -25.28 68.2 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.3 0.64 . . . . 0.0 111.959 -172.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -63.57 -22.33 66.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.644 1.178 . . . . 0.0 112.92 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.3 p -69.34 -9.05 51.59 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.088 0.955 . . . . 0.0 112.085 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -121.76 -22.4 5.81 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.595 0.758 . . . . 0.0 111.108 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -115.22 10.71 16.06 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.242 0.617 . . . . 0.0 112.396 -172.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.94 -174.35 47.93 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-O 119.527 -0.596 . . . . 0.0 112.839 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -62.21 122.36 10.78 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 122.762 2.308 . . . . 0.0 111.766 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.26 126.51 35.21 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HB3' HD12 ' A' ' 45' ' ' LEU . 46.7 mtmt -42.86 86.58 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 125.711 1.604 . . . . 0.0 114.567 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -78.85 178.63 7.8 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.902 0.881 . . . . 0.0 110.333 174.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.34 85.67 1.86 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.6 ttp -130.53 116.42 18.14 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.42 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 40.7 t -55.5 132.74 70.94 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 123.528 0.731 . . . . 0.0 112.564 -174.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.03 -37.32 43.69 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 122.203 1.935 . . . . 0.0 112.471 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mt -85.68 -54.47 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.733 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 13.7 p -122.87 3.49 9.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 62.93 27.74 70.79 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 116.647 1.419 . . . . 0.0 116.647 170.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.733 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 41.0 mm-40 -65.58 146.77 54.43 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 122.914 0.486 . . . . 0.0 111.831 168.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -102.89 139.26 38.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.561 1.145 . . . . 0.0 109.371 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -130.35 156.28 79.72 Favored Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 123.223 0.609 . . . . 0.0 110.783 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -64.13 -14.37 43.22 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.084 2.523 . . . . 0.0 113.944 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.0 p -149.73 168.07 24.68 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.889 0.852 . . . . 0.0 111.452 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 31' ' ' LYS . 1.4 tt -92.27 49.65 1.54 Allowed 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 173.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 87.3 mt -147.52 -51.29 0.19 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -176.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.6 p -63.7 -36.91 85.41 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.607 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.03 -29.17 68.91 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 123.093 0.557 . . . . 0.0 110.586 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.9 m -68.94 -45.33 71.05 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.853 0.861 . . . . 0.0 110.812 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 46.3 mt-10 -58.63 -48.62 80.41 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.479 177.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -58.51 -40.1 81.91 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.482 1.113 . . . . 0.0 112.367 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -60.93 -46.62 89.94 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.971 0.794 . . . . 0.0 112.27 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 m -78.86 -40.32 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 122.804 0.442 . . . . 0.0 112.19 -173.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.3 p -94.21 37.96 1.1 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.247 1.019 . . . . 0.0 110.585 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--O 1.25 1.091 0 C-N-CA 123.376 0.67 . . . . 0.0 110.672 -165.203 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.25 97.05 2.43 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.999 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -139.79 102.33 4.4 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.452 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 17.8 m170 -53.13 127.29 23.67 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.321 168.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -107.63 148.32 29.49 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.398 1.479 . . . . 0.0 111.032 -173.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.567 ' HB2' HD21 ' A' ' 19' ' ' LEU . 42.3 t -82.83 107.17 15.25 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 171.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -56.89 -38.71 73.16 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.578 0.751 . . . . 0.0 112.008 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.7 -56.98 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 C-N-CA 123.401 0.68 . . . . 0.0 111.322 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.91 -28.9 64.86 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.1 p 70.53 2.71 4.19 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 127.003 2.121 . . . . 0.0 111.846 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -101.26 165.12 11.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.311 1.044 . . . . 0.0 109.913 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -119.77 153.74 35.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.833 0.853 . . . . 0.0 109.931 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' HD2' ' H ' ' A' ' 15' ' ' SER . 23.6 t80 -87.33 162.16 17.53 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -64.1 -30.95 71.98 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.912 0.485 . . . . 0.0 110.654 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.57 ' H ' ' HD2' ' A' ' 13' ' ' PHE . 15.9 t -125.97 163.15 23.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.713 1.205 . . . . 0.0 109.112 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -88.66 -30.54 19.08 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -169.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -75.0 -42.37 57.67 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.38 -39.86 60.11 Favored Glycine 0 C--N 1.345 1.061 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.457 172.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.6 tm? -65.65 -47.14 76.57 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 123.271 0.628 . . . . 0.0 110.851 174.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -55.2 -42.03 72.73 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.552 0.741 . . . . 0.0 112.213 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -67.99 -39.9 83.19 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.927 0.491 . . . . 0.0 110.328 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.91 -26.75 68.45 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.058 0.943 . . . . 0.0 111.448 174.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 tt -71.51 -27.9 63.53 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -78.47 -27.62 46.36 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 124.046 0.939 . . . . 0.0 111.283 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.1 p -65.46 -12.03 48.68 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -91.59 -24.98 19.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.054 0.542 . . . . 0.0 111.026 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -100.17 -19.43 16.44 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.026 0.53 . . . . 0.0 110.787 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.38 -178.5 51.22 Favored Glycine 0 C--N 1.343 0.969 0 C-N-CA 123.665 0.65 . . . . 0.0 113.497 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -62.45 120.94 8.71 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.851 2.367 . . . . 0.0 111.105 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.12 146.03 8.91 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.075 0.95 . . . . 0.0 109.129 -174.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -73.41 160.91 31.07 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -117.46 160.95 20.36 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 174.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.547 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -87.83 133.67 33.84 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.746 0.418 . . . . 0.0 110.489 -172.598 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.0 ttt -106.09 132.98 51.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 170.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 36.1 t -60.38 121.17 58.05 Favored Pre-proline 0 CA--C 1.551 0.992 0 O-C-N 123.536 0.523 . . . . 0.0 111.092 -176.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.98 -36.05 98.35 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.697 2.265 . . . . 0.0 113.59 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.8 mt -88.52 -53.31 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -172.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.727 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 6.6 p -116.87 -0.98 12.11 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 66.65 29.31 74.54 Favored Glycine 0 C--N 1.341 0.82 0 N-CA-C 116.859 1.504 . . . . 0.0 116.859 170.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.727 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 28.9 mm-40 -67.71 113.37 5.44 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 117.247 0.524 . . . . 0.0 110.11 165.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -83.14 126.98 33.2 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -116.77 153.86 49.32 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 123.933 0.893 . . . . 0.0 110.012 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.82 -13.57 40.44 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 123.071 2.514 . . . . 0.0 113.309 -175.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.3 p -153.04 169.09 23.78 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.535 0.683 . . . . 0.0 111.4 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.547 ' HG ' ' HB2' ' A' ' 33' ' ' TYR . 5.3 mp -88.78 42.12 1.06 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.753 1.221 . . . . 0.0 109.265 176.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.4 mt -138.21 -53.58 0.62 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -168.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 p -67.68 -34.85 77.73 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 112.981 -1.918 . . . . 0.0 111.357 172.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' HG ' ' HB3' ' A' ' 33' ' ' TYR . 2.8 tm? -66.14 -35.42 80.44 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -67.9 -38.73 83.33 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.061 0.544 . . . . 0.0 110.924 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.1 -38.25 88.16 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.475 172.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -70.69 -51.51 27.16 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.095 0.958 . . . . 0.0 112.695 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.52 -30.62 65.31 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -167.267 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.3 m -62.95 -20.62 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 124.018 0.927 . . . . 0.0 113.03 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -79.29 -2.67 42.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.951 0.501 . . . . 0.0 112.296 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--O 1.249 1.043 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.061 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.71 -90.86 0.4 Allowed Glycine 0 C--N 1.34 0.783 0 O-C-N 123.687 0.617 . . . . 0.0 112.352 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -89.88 99.64 12.61 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.922 0.867 . . . . 0.0 109.569 -172.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.439 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 64.4 m80 -70.03 71.81 0.4 Allowed 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 114.019 -1.446 . . . . 0.0 109.975 168.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -107.04 137.62 44.77 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.064 -0.971 . . . . 0.0 108.972 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.0 t -94.53 82.04 3.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.332 1.053 . . . . 0.0 108.415 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -57.42 -35.92 70.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.301 1.44 . . . . 0.0 114.741 -167.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.4 t -58.53 -45.61 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.164 0.586 . . . . 0.0 111.61 -171.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.0 p -92.82 -28.71 16.37 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.23 0.612 . . . . 0.0 111.014 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 m 99.43 3.05 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 128.051 2.541 . . . . 0.0 112.696 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -81.17 146.2 30.63 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.828 0.451 . . . . 0.0 110.545 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -98.66 170.53 8.73 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 123.546 0.738 . . . . 0.0 110.846 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -76.57 169.22 18.67 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.813 0.816 . . . . 0.0 112.247 175.65 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -112.86 -59.62 1.99 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -114.32 170.98 7.9 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 114.297 -1.32 . . . . 0.0 107.524 163.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.85 -34.96 77.72 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 117.683 0.22 . . . . 0.0 110.819 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -74.89 -28.55 60.68 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.171 0.589 . . . . 0.0 110.058 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.98 -36.44 88.18 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.949 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' HG ' ' HB3' ' A' ' 4' ' ' HIS . 2.7 tm? -60.87 -47.3 87.0 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.339 0.655 . . . . 0.0 109.94 172.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -63.82 -39.1 93.42 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 124.366 1.041 . . . . 0.0 111.465 -173.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.83 -47.94 64.76 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.45 0.7 . . . . 0.0 110.003 176.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -60.71 -29.08 69.13 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.98 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.19 -33.16 75.14 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.58 0.752 . . . . 0.0 110.921 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -73.97 -17.38 61.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.139 0.976 . . . . 0.0 111.594 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.1 p -68.87 -12.8 61.94 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.15 0.58 . . . . 0.0 111.624 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -116.39 -20.97 9.48 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.908 0.883 . . . . 0.0 110.128 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -82.2 -37.78 25.56 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.898 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.21 -148.26 6.0 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.222 170.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.76 121.71 7.23 Favored 'Trans proline' 0 CA--C 1.551 1.367 0 C-N-CA 122.183 1.922 . . . . 0.0 111.65 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.64 133.7 55.64 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -65.58 91.18 0.12 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.562 0.745 . . . . 0.0 112.927 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -92.44 143.74 26.06 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 165.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -74.16 107.21 6.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.615 0.721 . . . . 0.0 112.87 -162.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 47.6 ttm -100.89 140.31 35.35 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.367 -1.288 . . . . 0.0 107.844 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HA ' HD21 ' A' ' 48' ' ' LEU . 20.2 t -58.57 130.83 85.23 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.779 0.832 . . . . 0.0 111.917 -178.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.07 -40.36 34.27 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.525 2.15 . . . . 0.0 112.18 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mt -81.49 -53.63 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -168.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 22.7 p -127.39 8.78 6.55 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.38 36.08 92.91 Favored Glycine 0 N--CA 1.477 1.387 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 163.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 21.5 mp0 -69.68 122.48 19.22 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.038 0.935 . . . . 0.0 109.478 164.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -73.37 132.2 42.75 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.448 ' HD2' HD23 ' A' ' 48' ' ' LEU . 68.2 m-85 -127.7 152.2 76.53 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 124.079 0.952 . . . . 0.0 109.629 175.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -64.34 -28.6 63.33 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.569 2.179 . . . . 0.0 113.218 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -159.14 175.16 13.81 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 121.411 0.624 . . . . 0.0 111.964 -170.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 1.9 pp -82.27 45.24 0.93 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.115 1.366 . . . . 0.0 112.134 178.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -132.24 -55.47 0.97 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 -177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -69.27 -35.19 75.82 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.156 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 35' ' ' CYS . 3.2 tm? -66.33 -40.09 89.65 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -63.45 -45.0 92.9 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.512 0.725 . . . . 0.0 111.149 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -61.55 -43.32 99.08 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.887 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.68 -37.81 85.49 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.576 0.75 . . . . 0.0 111.183 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.55 -40.71 69.82 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.798 0.839 . . . . 0.0 112.422 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.2 m -77.14 -28.98 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 122.172 -0.33 . . . . 0.0 111.538 -176.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.9 p -98.84 14.4 29.03 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.279 0.632 . . . . 0.0 111.749 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 . . . . . 0 CA--C 1.556 1.179 0 C-N-CA 123.292 0.637 . . . . 0.0 111.002 179.414 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.3 -179.87 49.5 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.67 0.606 . . . . 0.0 113.125 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -152.42 106.0 3.08 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 123.525 0.73 . . . . 0.0 109.951 -176.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -62.71 87.79 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 162.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -132.49 147.99 52.38 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.073 1.349 . . . . 0.0 107.512 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 33.9 t -73.34 22.37 0.07 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 116.161 1.911 . . . . 0.0 116.161 -158.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 52.35 -68.51 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 126.025 1.73 . . . . 0.0 115.128 153.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.47 -50.67 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.811 1.244 . . . . 0.0 109.376 173.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.548 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 96.4 m -68.26 -48.12 65.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.552 169.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.2 p 46.03 74.87 0.13 Allowed 'General case' 0 C--N 1.361 1.077 0 O-C-N 124.924 1.39 . . . . 0.0 110.406 -165.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' HG2' ' HB3' ' A' ' 9' ' ' CYS . 15.2 mmm180 -125.0 -71.87 0.69 Allowed 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -168.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -179.92 -170.43 0.15 Allowed 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.162 -161.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -164.89 147.09 8.17 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.702 1.601 . . . . 0.0 107.583 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -78.53 -42.59 29.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.1 p -161.66 -173.39 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 113.419 -1.719 . . . . 0.0 108.521 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 37.6 mm-40 -61.31 -47.84 84.13 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 171.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -68.9 -31.56 70.57 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.485 0.714 . . . . 0.0 110.019 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.05 -51.15 60.92 Favored Glycine 0 C--N 1.354 1.557 0 O-C-N 124.485 1.116 . . . . 0.0 111.85 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.44 HD21 ' N ' ' A' ' 6' ' ' CYS . 2.7 tm? -59.21 -50.36 74.34 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.219 1.008 . . . . 0.0 111.549 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 18.6 mtm180 -63.65 -41.58 98.2 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.255 -174.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -46.36 79.68 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.884 0.874 . . . . 0.0 109.755 174.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -70.64 -27.46 64.07 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.341 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -63.78 -23.34 67.32 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.541 0.737 . . . . 0.0 112.874 -172.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.29 -19.44 46.18 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.196 0.998 . . . . 0.0 113.008 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.0 p -76.02 -1.96 28.33 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.777 0.831 . . . . 0.0 111.847 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -124.19 -23.26 4.58 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.844 0.857 . . . . 0.0 110.874 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -59.4 -44.49 92.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.785 0.834 . . . . 0.0 110.949 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.77 -139.02 8.88 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.833 171.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -77.68 162.26 30.15 Favored 'Trans proline' 0 C--N 1.364 1.385 0 C-N-CA 123.534 2.823 . . . . 0.0 112.944 175.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.34 37.86 2.61 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HD3' ' H ' ' A' ' 42' ' ' PHE . 1.4 tpmt? -64.23 133.08 52.12 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.653 -168.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -67.17 -30.78 70.85 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.888 0.743 . . . . 0.0 111.24 -174.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.599 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -143.19 115.44 8.44 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 164.135 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.3 ttm -93.79 119.42 32.73 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 166.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 9.3 t -64.0 127.12 91.42 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 123.378 0.671 . . . . 0.0 110.867 -168.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -52.11 -44.92 42.47 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.161 2.574 . . . . 0.0 114.784 -172.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.9 mt -84.53 -51.96 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 p -99.54 -37.64 9.09 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.496 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 73.9 28.52 64.62 Favored Glycine 0 C--N 1.349 1.289 0 N-CA-C 115.367 0.907 . . . . 0.0 115.367 173.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.19 164.09 24.98 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.442 0.697 . . . . 0.0 111.86 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -93.26 122.59 35.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.617 0.767 . . . . 0.0 109.901 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.441 ' H ' ' HD3' ' A' ' 31' ' ' LYS . 73.8 m-85 -112.57 140.81 24.27 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 123.628 0.771 . . . . 0.0 109.578 177.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -54.09 -32.76 70.93 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 123.424 2.749 . . . . 0.0 112.939 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 t -161.7 179.59 8.02 Favored 'General case' 0 C--O 1.247 0.939 0 C-N-CA 123.542 0.737 . . . . 0.0 109.994 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.599 ' HG ' ' HB2' ' A' ' 33' ' ' TYR . 2.1 tt -92.54 59.33 3.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.67 0.788 . . . . 0.0 108.904 -174.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mp -139.25 -48.27 0.48 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.1 p -62.95 -28.68 70.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.577 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' HG ' ' HB3' ' A' ' 33' ' ' TYR . 3.2 tm? -60.56 -44.66 95.92 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 171.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 m -65.49 -41.73 92.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.638 0.775 . . . . 0.0 110.914 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.88 -42.96 94.37 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.184 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -70.68 -47.92 57.42 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.512 1.125 . . . . 0.0 113.537 -174.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -33.75 41.98 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 124.465 1.106 . . . . 0.0 113.711 -167.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.2 m -60.51 -25.28 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 123.941 0.896 . . . . 0.0 112.447 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.8 p -83.63 0.96 44.6 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 . . . . . 0 CA--C 1.554 1.097 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.211 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.44 92.55 0.07 OUTLIER Glycine 0 C--N 1.354 1.54 0 O-C-N 123.933 0.771 . . . . 0.0 111.774 174.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 p -163.04 105.83 1.03 Allowed 'General case' 0 C--O 1.244 0.779 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.14 166.88 10.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.941 0.791 . . . . 0.0 109.597 -174.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -109.7 115.5 29.99 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.45 0.7 . . . . 0.0 109.936 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.437 ' HB2' HD21 ' A' ' 19' ' ' LEU . 43.2 t -70.26 91.07 0.71 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 171.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -54.81 -32.07 59.93 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.794 1.238 . . . . 0.0 112.416 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.2 t -56.62 -44.12 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 124.143 0.977 . . . . 0.0 110.583 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.2 m -88.35 -22.82 23.61 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.581 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m 75.98 7.9 3.6 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.648 1.979 . . . . 0.0 112.098 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -115.59 174.19 6.14 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.395 0.678 . . . . 0.0 110.529 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -121.9 156.02 34.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.763 0.825 . . . . 0.0 110.125 -172.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' HD1' ' H ' ' A' ' 15' ' ' SER . 3.1 t80 -107.57 136.79 46.74 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 165.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -73.39 0.15 13.04 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.424 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 29.5 m -132.38 136.28 46.71 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.052 0.941 . . . . 0.0 109.794 173.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.36 -55.68 30.71 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.468 1.107 . . . . 0.0 112.393 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.04 -19.32 63.3 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.545 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.2 -36.85 49.92 Favored Glycine 0 C--N 1.343 0.921 0 O-C-N 123.894 0.746 . . . . 0.0 111.733 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.7 tm? -63.98 -46.81 82.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.058 0.943 . . . . 0.0 110.296 171.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -62.58 -32.45 73.44 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.807 0.843 . . . . 0.0 111.473 176.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.19 -32.82 59.19 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.501 0.72 . . . . 0.0 110.585 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 25' ' ' THR . 36.1 t60 -67.27 -36.73 82.19 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.891 0.876 . . . . 0.0 109.651 172.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -23.21 66.25 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.816 1.246 . . . . 0.0 111.171 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -63.91 -15.51 59.26 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.601 0.76 . . . . 0.0 112.925 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 22' ' ' HIS . 4.9 t -81.77 -20.15 39.82 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.804 0.442 . . . . 0.0 110.981 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -90.37 39.79 0.99 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.627 1.171 . . . . 0.0 110.609 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -81.33 -9.74 59.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.084 0.553 . . . . 0.0 111.72 -169.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.26 -166.36 10.64 Favored Glycine 0 C--N 1.342 0.911 0 CA-C-O 119.107 -0.829 . . . . 0.0 111.441 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -81.58 123.57 4.34 Favored 'Trans proline' 0 C--N 1.369 1.653 0 C-N-CA 123.236 2.624 . . . . 0.0 111.76 -178.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.77 -65.95 0.95 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 169.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -140.19 61.15 1.53 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 167.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -112.78 101.9 9.96 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -116.89 146.5 42.9 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.307 0.575 . . . . 0.0 112.327 -169.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.1 ttm -110.1 143.3 40.35 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.387 1.475 . . . . 0.0 107.37 171.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.63 143.44 96.49 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 122.651 0.38 . . . . 0.0 111.777 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.87 -48.6 0.47 Allowed 'Trans proline' 0 CA--C 1.556 1.581 0 C-N-CA 122.021 1.814 . . . . 0.0 113.128 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -78.84 -51.97 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -167.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.5 p -109.77 -39.83 4.99 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.488 0.585 . . . . 0.0 111.436 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.34 39.76 4.4 Favored Glycine 0 C--N 1.348 1.205 0 N-CA-C 116.725 1.45 . . . . 0.0 116.725 156.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.26 160.25 29.02 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 117.631 0.716 . . . . 0.0 110.617 167.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -86.59 146.38 26.37 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.81 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -123.43 145.44 46.78 Favored Pre-proline 0 N--CA 1.483 1.215 0 C-N-CA 123.355 0.662 . . . . 0.0 111.288 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -73.39 -18.65 22.9 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.314 2.676 . . . . 0.0 112.996 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 p -158.94 164.38 35.67 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.453 0.701 . . . . 0.0 111.184 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -84.6 79.15 9.69 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 57.2 tp -160.92 -55.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -65.77 -31.67 72.78 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.973 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.1 -44.09 91.93 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.352 0.661 . . . . 0.0 110.33 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.8 m -67.92 -41.79 82.07 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.621 0.768 . . . . 0.0 111.249 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 7.9 mm-40 -62.56 -40.33 96.48 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.718 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -71.15 -37.42 72.26 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.895 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -57.04 -51.68 68.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.216 1.006 . . . . 0.0 111.35 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.94 -26.5 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.757 -174.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.7 p -86.84 5.45 36.67 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 118.894 -0.574 . . . . 0.0 111.386 176.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttm . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.54 -154.23 20.02 Favored Glycine 0 C--N 1.347 1.146 0 N-CA-C 110.444 -1.063 . . . . 0.0 110.444 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -149.11 98.1 2.78 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.318 0.58 . . . . 0.0 109.536 172.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -86.03 70.96 10.65 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 163.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -118.52 136.6 53.74 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.713 -1.131 . . . . 0.0 108.215 -175.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.9 t -78.2 94.52 4.77 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -49.18 -40.27 32.51 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.811 1.244 . . . . 0.0 113.698 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.92 -44.85 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 C-N-CA 124.05 0.94 . . . . 0.0 110.874 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.4 m -79.88 -30.02 40.08 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.764 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 m 72.96 9.74 5.4 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.561 1.945 . . . . 0.0 112.836 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -113.58 168.24 9.93 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -101.57 162.5 12.86 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.475 -163.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.457 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -77.87 -175.04 3.79 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.369 174.354 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -133.77 -55.0 0.88 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.9 p -105.43 146.06 30.0 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 124.556 1.142 . . . . 0.0 108.344 168.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.95 -39.13 87.2 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.883 0.473 . . . . 0.0 110.797 -175.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -73.59 -21.76 60.24 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.034 0.534 . . . . 0.0 110.162 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.95 97.65 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.885 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.59 -42.26 98.61 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.12 0.568 . . . . 0.0 110.247 174.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -58.76 -49.66 76.81 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 124.162 0.914 . . . . 0.0 111.475 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.34 -38.34 89.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.453 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -66.52 -36.1 81.87 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.21 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -63.98 -18.24 64.09 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.989 0.516 . . . . 0.0 111.521 -173.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 27' ' ' ARG . 10.4 mm100 -71.31 -13.24 61.82 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.623 1.169 . . . . 0.0 112.581 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.4 p -73.83 -11.61 60.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.984 0.514 . . . . 0.0 110.972 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -120.79 38.0 4.15 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.362 1.065 . . . . 0.0 108.666 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' HB2' ' HA ' ' A' ' 24' ' ' GLN . 6.6 tpp180 -104.88 -20.29 13.62 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.119 0.568 . . . . 0.0 110.515 -168.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.4 -175.89 52.57 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 119.301 -0.721 . . . . 0.0 111.386 -169.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.78 124.29 15.5 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 123.385 2.724 . . . . 0.0 112.271 173.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.68 151.88 37.94 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.783 0.833 . . . . 0.0 110.902 -171.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt 73.06 -57.7 0.63 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.09 1.756 . . . . 0.0 112.409 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -74.37 -170.73 1.04 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.368 0.667 . . . . 0.0 111.546 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.428 ' HE1' ' HE ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -141.49 86.76 2.03 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.644 0.777 . . . . 0.0 109.772 -169.452 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 51.4 ttm -110.05 129.82 55.63 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 12.2 t -74.49 121.99 86.5 Favored Pre-proline 0 CA--C 1.56 1.332 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.964 -177.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -46.06 -41.19 21.25 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 124.381 3.388 . . . . 0.0 116.291 -174.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.1 mt -91.98 -53.91 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.526 ' SG ' ' HG3' ' A' ' 40' ' ' GLU . 6.5 p -104.63 -19.62 13.91 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -167.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.424 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 73.1 18.13 79.03 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 116.055 1.182 . . . . 0.0 116.055 173.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HG3' ' SG ' ' A' ' 38' ' ' CYS . 51.3 mt-10 -67.16 127.87 34.23 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 117.284 0.542 . . . . 0.0 111.139 173.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.428 ' HE ' ' HE1' ' A' ' 33' ' ' TYR . 2.1 tmt_? -87.18 135.44 33.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.655 1.182 . . . . 0.0 109.938 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -121.69 160.21 47.51 Favored Pre-proline 0 N--CA 1.483 1.182 0 C-N-CA 124.54 1.136 . . . . 0.0 109.836 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -56.8 -26.08 64.59 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 123.26 2.64 . . . . 0.0 113.564 -175.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.6 m -146.13 162.52 37.78 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.23 0.612 . . . . 0.0 110.105 -177.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 tp -88.85 54.43 3.01 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 122.649 1.214 . . . . 0.0 108.056 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 45.3 tp -150.45 -53.39 0.15 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -61.76 -33.97 75.02 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.62 168.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.33 -43.18 99.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.204 1.002 . . . . 0.0 109.937 172.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 m -65.62 -45.28 83.7 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.974 0.91 . . . . 0.0 111.187 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 13.3 mm-40 -55.22 -46.11 75.93 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.301 1.04 . . . . 0.0 110.845 175.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -66.9 -40.24 87.66 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 123.772 0.67 . . . . 0.0 110.932 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.78 -46.14 86.55 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.066 0.946 . . . . 0.0 110.781 -169.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.36 -31.88 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 122.848 0.459 . . . . 0.0 111.609 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -87.64 21.36 2.6 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.696 172.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.18 -161.45 26.77 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 123.847 0.717 . . . . 0.0 112.615 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 p -91.65 98.72 11.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 122.346 1.07 . . . . 0.0 108.61 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -117.84 100.89 7.88 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 113.647 -1.615 . . . . 0.0 111.268 171.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -144.35 130.72 19.79 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.441 167.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -89.04 104.8 17.32 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 165.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -51.56 -44.84 62.83 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.575 1.15 . . . . 0.0 112.547 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.89 -44.75 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.997 -173.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.1 m -81.52 -31.62 32.71 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.516 0.726 . . . . 0.0 111.588 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 m 77.46 8.59 2.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.137 1.775 . . . . 0.0 110.923 -171.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -117.15 -158.83 0.71 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.771 1.228 . . . . 0.0 109.474 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -164.24 177.44 8.32 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.127 0.489 . . . . 0.0 112.189 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -97.78 146.64 25.2 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 164.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -79.35 18.03 0.75 Allowed 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 118.823 0.738 . . . . 0.0 112.185 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -147.22 147.69 30.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.236 1.415 . . . . 0.0 108.173 169.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 2.5 mp0 -68.84 -48.2 64.11 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.813 0.845 . . . . 0.0 112.364 -168.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.65 -27.95 65.47 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.911 0.484 . . . . 0.0 110.213 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.1 -36.53 56.54 Favored Glycine 0 C--N 1.348 1.24 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.283 176.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.71 -41.29 96.09 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.799 0.84 . . . . 0.0 110.642 173.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 31.7 mmm180 -58.76 -37.09 75.48 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.871 0.732 . . . . 0.0 111.505 173.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.61 -38.85 74.0 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.564 0.746 . . . . 0.0 110.633 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -63.49 -37.81 88.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.336 1.054 . . . . 0.0 110.824 177.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.37 -28.8 63.5 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.871 1.268 . . . . 0.0 112.102 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.7 -20.34 66.26 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.775 0.83 . . . . 0.0 113.054 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.6 p -71.41 -25.85 62.51 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.945 0.498 . . . . 0.0 111.017 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -91.69 -4.91 54.59 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.529 0.732 . . . . 0.0 111.124 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -82.85 -13.15 56.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.543 168.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.08 163.99 22.09 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.7 119.89 7.24 Favored 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.41 2.073 . . . . 0.0 110.585 172.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.59 87.8 1.52 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.553 0.741 . . . . 0.0 109.498 -173.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -154.13 69.42 0.78 Allowed 'General case' 0 C--O 1.245 0.822 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -79.04 151.03 31.71 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.33 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.441 ' HA ' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -126.84 89.12 2.93 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -176.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.1 ttp -125.41 127.44 46.55 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.089 -171.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.638 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 34.6 t -83.31 126.46 71.77 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-O 118.988 -0.529 . . . . 0.0 110.312 173.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -47.14 -52.8 7.24 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 123.033 2.489 . . . . 0.0 114.024 167.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.4 mt -72.08 -55.91 11.83 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.13 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -172.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -44.45 4.01 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 118.313 0.506 . . . . 0.0 111.647 -173.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.638 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 91.65 31.35 9.51 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 115.078 0.791 . . . . 0.0 115.078 166.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -78.71 164.62 24.43 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.646 0.778 . . . . 0.0 111.665 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -115.09 138.42 50.91 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.141 0.976 . . . . 0.0 109.297 -175.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -124.37 161.69 46.37 Favored Pre-proline 0 N--CA 1.479 0.975 0 C-N-CA 124.035 0.934 . . . . 0.0 109.784 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -47.12 -27.66 6.61 Favored 'Trans proline' 0 C--N 1.391 2.811 0 C-N-CA 123.973 3.115 . . . . 0.0 114.748 -176.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -156.31 179.59 9.09 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.498 0.666 . . . . 0.0 111.033 175.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 33' ' ' TYR . 28.6 tp -87.15 36.48 0.73 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.854 1.262 . . . . 0.0 110.06 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 3.4 mm? -130.42 -52.53 1.09 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -174.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.1 p -64.28 -29.97 71.04 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.328 170.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.0 -34.5 78.24 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.602 0.761 . . . . 0.0 110.457 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 m -72.09 -36.57 69.54 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.716 0.806 . . . . 0.0 110.879 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 20.5 mm-40 -60.28 -34.93 74.44 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.321 172.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -71.46 -34.11 69.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.184 0.593 . . . . 0.0 111.826 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.52 -39.05 86.38 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.404 0.682 . . . . 0.0 111.607 -173.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.12 -29.66 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.4 p -81.25 21.93 0.71 Allowed 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m80 . . . . . 0 C--O 1.251 1.144 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 165.936 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 mmt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -57.2 92.74 0.03 OUTLIER Glycine 0 C--N 1.352 1.461 0 O-C-N 123.892 0.745 . . . . 0.0 114.344 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -95.7 97.12 9.47 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 172.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.413 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 72.5 m-70 -89.54 69.37 7.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 113.553 -1.658 . . . . 0.0 110.363 -177.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -103.2 123.8 47.41 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 168.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 43.7 t -81.42 89.07 6.1 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.601 0.36 . . . . 0.0 110.354 -175.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -55.27 -31.81 61.86 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -54.36 -56.29 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 123.988 0.915 . . . . 0.0 111.798 -173.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.53 -26.87 14.28 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.253 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 m 91.54 17.76 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 126.896 2.078 . . . . 0.0 112.33 172.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 6' ' ' CYS . 61.0 mmt-85 -102.35 174.27 5.99 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.556 0.743 . . . . 0.0 111.558 176.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -137.69 165.91 25.23 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.725 0.774 . . . . 0.0 112.737 -171.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 32.7 p90 -79.03 -174.72 4.2 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.494 1.518 . . . . 0.0 113.454 -175.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -120.52 -53.45 2.11 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 175.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -118.19 163.37 16.75 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.884 1.274 . . . . 0.0 109.223 170.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.73 -43.18 80.39 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -168.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -70.41 -18.25 63.02 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.152 0.581 . . . . 0.0 111.067 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.1 -45.69 95.54 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.441 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HG ' ' HB3' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -65.5 -43.04 91.38 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.814 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 30.1 mmm180 -58.25 -53.61 56.29 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 124.526 1.141 . . . . 0.0 111.396 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -56.35 -48.92 75.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.409 1.084 . . . . 0.0 110.835 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -59.89 -33.77 72.28 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.961 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 tp -74.16 -32.44 63.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 111.508 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 20' ' ' ARG . 94.7 mt-30 -78.81 -38.29 38.61 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.252 0.621 . . . . 0.0 110.152 -178.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.9 p -79.4 -3.49 46.63 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.952 0.901 . . . . 0.0 111.875 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.49 2.37 0.43 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -68.34 -20.08 64.7 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 118.418 0.554 . . . . 0.0 110.667 176.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.86 -166.52 42.22 Favored Glycine 0 C--N 1.357 1.736 0 CA-C-O 119.718 -0.49 . . . . 0.0 113.237 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -87.35 141.54 5.84 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 123.113 2.542 . . . . 0.0 114.14 -172.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.69 33.14 5.35 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.82 1.248 . . . . 0.0 108.247 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -81.81 146.56 29.84 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.43 1.492 . . . . 0.0 111.6 -169.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -101.6 122.13 43.28 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -79.94 115.48 19.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.192 0.597 . . . . 0.0 112.123 -164.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 35.9 ttm -97.5 144.96 26.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.184 1.394 . . . . 0.0 108.295 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.631 ' HA ' HD21 ' A' ' 48' ' ' LEU . 31.7 t -66.22 138.58 96.07 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -65.62 -50.4 1.84 Allowed 'Trans proline' 0 C--N 1.372 1.809 0 C-N-CA 122.651 2.234 . . . . 0.0 112.96 172.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.2 mt -78.01 -54.96 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -164.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.9 p -107.14 -40.61 5.38 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 118.046 0.385 . . . . 0.0 110.909 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 35' ' ' CYS . . . 99.32 39.74 3.41 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 116.922 1.529 . . . . 0.0 116.922 156.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.8 152.76 22.77 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 117.518 0.659 . . . . 0.0 110.469 166.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -88.05 139.7 30.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.904 0.881 . . . . 0.0 111.337 -172.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -123.17 151.71 62.48 Favored Pre-proline 0 N--CA 1.474 0.775 0 C-N-CA 123.876 0.87 . . . . 0.0 109.445 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.12 -41.22 76.62 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 123.067 2.512 . . . . 0.0 113.103 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.9 m -153.44 175.08 13.56 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.019 0.528 . . . . 0.0 110.339 -169.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.4 tp -85.68 56.98 4.21 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.008 0.923 . . . . 0.0 110.541 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -136.86 -56.07 0.73 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.4 p -68.99 -33.98 74.55 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.108 0.963 . . . . 0.0 111.206 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 35' ' ' CYS . 2.8 tm? -62.8 -44.33 96.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.155 0.582 . . . . 0.0 110.423 174.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.9 m -65.91 -41.82 90.97 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.462 0.705 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.63 -46.51 84.04 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.519 0.728 . . . . 0.0 110.384 175.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -66.67 -41.14 88.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.796 0.839 . . . . 0.0 111.974 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.47 -43.17 99.47 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.083 0.953 . . . . 0.0 112.209 -172.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.434 HG23 HG23 ' A' ' 54' ' ' THR . 29.8 m -77.98 -32.31 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 122.892 0.477 . . . . 0.0 111.921 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 53' ' ' VAL . 70.5 p -94.5 35.35 1.22 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.955 0.902 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 . . . . . 0 CA--C 1.558 1.253 0 C-N-CA 122.797 0.439 . . . . 0.0 110.499 -165.62 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.23 166.8 8.08 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-O 118.944 -0.92 . . . . 0.0 111.452 163.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 m -72.38 93.74 1.55 Allowed 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 122.912 1.339 . . . . 0.0 110.435 -169.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -104.13 86.39 2.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 112.357 -2.201 . . . . 0.0 108.198 166.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -113.99 141.93 46.79 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.104 1.362 . . . . 0.0 108.865 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.7 t -83.82 109.78 17.82 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 167.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -35.09 79.53 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.399 0.68 . . . . 0.0 110.779 -177.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.56 -43.75 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.804 0.842 . . . . 0.0 111.562 -177.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.2 m -87.23 -31.27 20.38 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.65 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m 77.65 10.7 2.22 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 126.693 1.997 . . . . 0.0 111.157 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -110.73 -174.57 2.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.052 0.941 . . . . 0.0 110.37 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 t -140.81 170.41 15.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.586 0.755 . . . . 0.0 110.105 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.476 ' HD1' ' H ' ' A' ' 15' ' ' SER . 5.5 t80 -113.74 150.85 32.77 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.969 0.908 . . . . 0.0 109.126 175.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.58 -35.58 74.57 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.007 0.923 . . . . 0.0 111.677 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.476 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 36.1 p -105.81 137.24 44.01 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 172.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.99 -28.03 60.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.41 0.284 . . . . 0.0 110.51 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -75.55 -35.47 60.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.237 0.615 . . . . 0.0 109.435 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.54 -32.33 83.86 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.051 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.01 -43.9 90.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.995 0.918 . . . . 0.0 110.313 172.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.456 ' HD2' HD12 ' A' ' 23' ' ' LEU . 22.3 mmm180 -61.84 -34.79 76.6 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.881 0.872 . . . . 0.0 112.352 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -72.18 -38.69 69.05 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.614 0.721 . . . . 0.0 109.971 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -67.05 -30.32 70.36 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.761 1.224 . . . . 0.0 110.595 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD12 ' HD2' ' A' ' 20' ' ' ARG . 16.3 mt -61.35 -27.3 68.41 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.984 0.914 . . . . 0.0 112.415 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -77.94 -13.91 59.72 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.214 1.006 . . . . 0.0 111.583 -173.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.0 p -76.26 -4.24 40.9 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 123.378 0.671 . . . . 0.0 111.274 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -121.74 -2.12 9.38 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.5 0.72 . . . . 0.0 111.166 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -56.44 -38.55 71.77 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.205 1.002 . . . . 0.0 111.986 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.6 -151.2 23.35 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-O 118.877 -0.957 . . . . 0.0 111.479 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 137.03 78.0 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.18 2.586 . . . . 0.0 111.148 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.63 -10.24 14.11 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.313 0.645 . . . . 0.0 112.128 -170.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -89.33 104.95 17.46 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 11.5 p80 -152.98 101.75 2.61 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -76.12 135.38 39.83 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.6 ttp -93.08 113.57 25.87 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.426 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 19.6 t -59.8 127.47 85.32 Favored Pre-proline 0 CA--C 1.55 0.976 0 O-C-N 123.629 0.581 . . . . 0.0 111.558 -173.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -47.96 -48.36 16.5 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.65 2.9 . . . . 0.0 114.607 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.5 mt -84.7 -54.99 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.437 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 12.2 p -109.32 -7.16 15.28 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -166.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.426 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 61.51 25.09 64.71 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 116.332 1.293 . . . . 0.0 116.332 173.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 15.0 mm-40 -68.88 149.73 48.57 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.696 0.799 . . . . 0.0 111.368 169.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -93.4 124.62 37.51 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.917 0.887 . . . . 0.0 109.557 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 32' ' ' HIS . 41.3 m-85 -123.28 139.9 32.71 Favored Pre-proline 0 N--CA 1.481 1.11 0 C-N-CA 123.219 0.608 . . . . 0.0 109.793 174.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -67.1 -4.02 10.81 Favored 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 123.957 3.104 . . . . 0.0 114.168 -171.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 p -153.44 164.48 38.11 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.9 0.857 . . . . 0.0 111.108 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.79 42.75 1.1 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.035 -1.438 . . . . 0.0 109.445 170.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -145.03 -51.29 0.27 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 -170.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.9 p -62.34 -38.87 91.17 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.722 167.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.7 -37.36 86.23 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 123.689 0.618 . . . . 0.0 109.952 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.7 m -64.29 -41.25 96.97 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.403 0.681 . . . . 0.0 110.907 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' HG22 ' A' ' 54' ' ' THR . 41.2 mt-10 -64.75 -42.93 94.78 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.873 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -65.41 -44.56 87.06 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.433 1.093 . . . . 0.0 112.572 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -66.21 -33.89 76.77 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.39 0.676 . . . . 0.0 112.398 -171.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.82 -30.45 21.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 122.595 0.358 . . . . 0.0 111.816 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 50' ' ' GLU . 15.2 t -102.72 34.54 2.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.105 0.962 . . . . 0.0 110.555 -178.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 . . . . . 0 CA--C 1.557 1.24 0 C-N-CA 123.126 0.57 . . . . 0.0 111.135 -162.887 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 mtm . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.45 ' HA2' ' H ' ' A' ' 16' ' ' GLU . . . 67.64 39.51 90.54 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 113.052 175.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -158.67 107.17 1.92 Allowed 'General case' 0 C--N 1.346 0.452 0 C-N-CA 122.647 0.379 . . . . 0.0 110.294 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -129.5 161.23 30.91 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 167.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -90.19 126.37 35.79 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.58 0.627 . . . . 0.0 110.064 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 t -87.33 86.69 7.28 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 170.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -11.22 -64.91 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 127.391 2.276 . . . . 0.0 115.982 -177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.1 t -64.37 -54.21 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.081 0.953 . . . . 0.0 111.312 -175.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.4 m -58.3 -43.1 87.92 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.792 0.837 . . . . 0.0 111.803 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 m 67.71 15.41 9.68 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.367 1.467 . . . . 0.0 111.232 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -117.09 176.75 4.99 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.936 1.295 . . . . 0.0 108.894 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -133.17 154.25 50.8 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.967 0.907 . . . . 0.0 110.447 -172.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -100.83 149.26 24.03 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.707 1.203 . . . . 0.0 109.216 172.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -53.57 -24.77 14.64 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.834 0.854 . . . . 0.0 112.657 174.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.1 t -109.58 135.74 50.08 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 166.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' H ' ' HA2' ' A' ' 2' ' ' GLY . 9.6 pt-20 -79.47 -29.95 41.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.207 0.603 . . . . 0.0 110.276 176.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.87 -36.73 75.71 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.02 -29.92 62.02 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.258 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.12 -50.37 61.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.161 0.984 . . . . 0.0 110.618 172.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -58.73 -42.52 88.94 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.721 0.809 . . . . 0.0 111.701 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.19 -42.62 95.44 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.614 174.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -67.29 -38.34 84.88 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.515 1.126 . . . . 0.0 111.597 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.05 -35.32 76.6 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.971 0.908 . . . . 0.0 111.082 -171.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -69.22 -18.75 63.93 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.627 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 p -73.64 -8.67 56.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.061 0.545 . . . . 0.0 112.018 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -82.33 -24.73 34.44 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.148 0.499 . . . . 0.0 110.419 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -89.08 -29.56 19.32 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 165.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.22 151.81 12.24 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.209 -174.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -61.96 155.35 55.78 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.826 2.351 . . . . 0.0 112.152 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.3 53.02 1.42 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.261 0.553 . . . . 0.0 110.781 173.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.604 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 90.9 mttt -141.94 153.3 44.26 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.977 1.311 . . . . 0.0 109.492 -176.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 58.62 71.97 0.55 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.147 0.979 . . . . 0.0 110.77 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -117.51 122.35 43.49 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.793 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.2 ttt -94.54 141.18 28.89 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' HD21 ' A' ' 48' ' ' LEU . 33.9 t -66.92 139.4 95.6 Favored Pre-proline 0 CA--C 1.552 1.031 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.55 -43.2 2.11 Favored 'Trans proline' 0 C--N 1.37 1.658 0 C-N-CA 122.099 1.866 . . . . 0.0 112.906 173.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 mt -78.39 -53.34 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -166.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.5 p -111.17 -39.62 4.69 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 118.148 0.431 . . . . 0.0 111.435 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.64 40.72 3.8 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 116.21 1.244 . . . . 0.0 116.21 158.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.54 160.13 17.6 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 117.479 0.639 . . . . 0.0 110.071 164.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -81.22 143.87 32.0 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.116 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -130.75 148.4 70.0 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.24 1.016 . . . . 0.0 110.134 172.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.26 -22.25 53.63 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.941 2.428 . . . . 0.0 113.226 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.604 ' HA ' ' HA ' ' A' ' 31' ' ' LYS . 58.5 p -162.44 168.26 22.31 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -172.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -86.78 57.27 4.41 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 122.704 1.24 . . . . 0.0 108.992 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -146.26 -51.05 0.22 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 105.52 -2.029 . . . . 0.0 105.52 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.0 p -72.57 -38.69 67.84 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.062 173.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 35' ' ' CYS . 3.2 tm? -61.53 -34.67 75.94 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.54 0.736 . . . . 0.0 110.207 170.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.5 m -63.98 -46.96 82.29 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.909 0.884 . . . . 0.0 111.346 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.12 -34.54 78.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.352 0.661 . . . . 0.0 110.59 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.27 -46.38 80.7 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.391 1.076 . . . . 0.0 111.142 173.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.79 -44.92 95.92 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.973 1.309 . . . . 0.0 113.527 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.51 -21.64 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -169.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.1 p -120.7 -57.54 1.89 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.227 0.611 . . . . 0.0 110.428 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 CA--C 1.559 1.315 0 C-N-CA 126.056 1.742 . . . . 0.0 112.255 178.245 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 10' ' ' SER . 38.6 ttpt . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.1 t -60.71 -39.98 90.55 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -172.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.14 -49.63 0.54 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 126.144 1.778 . . . . 0.0 110.795 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -59.75 -53.48 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.8 0.84 . . . . 0.0 109.674 174.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.1 -50.31 9.79 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 171.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.404 ' O ' ' HD2' ' A' ' 5' ' ' LYS . 34.5 t 70.3 -0.97 2.64 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.215 1.406 . . . . 0.0 112.356 -174.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -116.13 5.18 13.73 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -172.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -151.15 141.8 22.69 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -170.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.515 ' HB3' HD23 ' A' ' 19' ' ' LEU . 14.5 p90 -169.26 144.48 3.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 128.146 2.578 . . . . 0.0 107.275 162.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -82.43 -32.24 29.1 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 p -172.06 -171.09 0.82 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.697 1.599 . . . . 0.0 107.755 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.6 -42.67 82.07 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.924 0.784 . . . . 0.0 108.891 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -69.95 -36.73 75.5 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.705 0.802 . . . . 0.0 109.475 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.32 -46.17 93.28 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 113.944 -1.48 . . . . 0.0 112.204 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 13' ' ' PHE . 1.3 tm? -65.61 -39.76 91.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.796 0.838 . . . . 0.0 112.343 176.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -56.41 -50.54 71.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.425 0.69 . . . . 0.0 110.816 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.58 -44.05 96.65 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.731 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -68.67 -26.78 65.48 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.089 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.33 -34.34 76.46 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 122.104 -0.373 . . . . 0.0 111.06 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -75.58 -15.01 60.41 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.93 0.892 . . . . 0.0 112.768 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 p -64.22 -15.84 60.81 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.212 0.605 . . . . 0.0 111.905 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 . . . . . 0 N--CA 1.476 0.856 0 C-N-CA 123.177 0.591 . . . . 0.0 111.192 -176.802 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.3 t80 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 43.8 ttm -103.86 137.64 41.58 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.545 ' HA ' HD11 ' A' ' 48' ' ' LEU . 42.1 t -65.97 138.07 96.17 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 123.277 0.631 . . . . 0.0 112.55 -171.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' HD11 ' A' ' 48' ' ' LEU . 33.1 Cg_exo -62.85 -45.53 13.07 Favored 'Trans proline' 0 C--N 1.372 1.778 0 C-N-CA 122.519 2.146 . . . . 0.0 112.07 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.68 -54.37 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -170.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 p -118.36 0.04 11.58 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.523 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 68.14 16.13 68.41 Favored Glycine 0 N--CA 1.477 1.397 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -65.07 143.75 57.71 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 117.344 0.572 . . . . 0.0 110.67 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.56 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -111.47 131.77 54.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.616 0.766 . . . . 0.0 109.814 -170.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -130.04 152.66 80.4 Favored Pre-proline 0 N--CA 1.474 0.725 0 C-N-CA 123.924 0.89 . . . . 0.0 109.631 -176.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.72 3.93 2.03 Favored 'Trans proline' 0 C--N 1.38 2.197 0 C-N-CA 123.372 2.715 . . . . 0.0 115.603 -170.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.0 p -161.71 169.37 21.62 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.548 0.689 . . . . 0.0 111.715 173.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -88.41 62.92 6.85 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 167.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -162.18 -55.22 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.6 p -62.65 -40.36 96.79 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.573 168.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.545 HD11 ' HA ' ' A' ' 35' ' ' CYS . 2.0 tm? -63.32 -39.06 93.51 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.588 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 m -66.79 -40.58 88.17 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.417 0.687 . . . . 0.0 111.338 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.6 -44.51 93.8 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.605 0.762 . . . . 0.0 110.795 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -59.8 -39.57 85.4 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.777 0.831 . . . . 0.0 111.251 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -62.61 -50.68 70.28 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.189 0.996 . . . . 0.0 110.503 -174.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.41 -40.36 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -172.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.8 p -90.71 13.8 15.15 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.15 0.58 . . . . 0.0 111.615 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER . . . . . 0 CA--C 1.564 1.486 0 C-N-CA 125.918 1.687 . . . . 0.0 113.905 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.2 t -75.07 117.57 17.06 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.63 -29.09 66.5 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 122.785 0.434 . . . . 0.0 111.514 -172.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.77 -49.48 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.32 0.648 . . . . 0.0 110.891 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.0 m -87.18 -26.88 23.34 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.04 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m 73.77 16.61 3.76 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.775 1.63 . . . . 0.0 111.559 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -110.55 177.95 4.53 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.178 0.991 . . . . 0.0 110.14 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -130.06 152.69 49.23 Favored 'General case' 0 C--O 1.243 0.734 0 C-N-CA 123.551 0.74 . . . . 0.0 109.963 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' HD1' ' H ' ' A' ' 15' ' ' SER . 13.6 t80 -110.14 142.12 42.09 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 171.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -65.62 -6.94 12.61 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.556 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 78.0 p -129.66 147.18 51.43 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 123.885 0.874 . . . . 0.0 109.826 170.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -55.43 -53.64 53.75 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.908 0.483 . . . . 0.0 109.855 168.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -61.06 -29.65 69.86 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.778 0.831 . . . . 0.0 111.789 -174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.38 -43.85 23.74 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.38 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.16 -48.83 74.47 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.078 0.551 . . . . 0.0 110.726 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -55.96 -35.3 66.55 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.97 0.908 . . . . 0.0 111.951 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -69.08 -40.8 78.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.051 0.94 . . . . 0.0 110.71 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -67.06 -41.58 86.2 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.793 1.237 . . . . 0.0 111.786 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.29 -31.46 69.14 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.382 1.473 . . . . 0.0 111.106 -176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -60.15 -18.43 47.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.558 1.143 . . . . 0.0 113.631 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -79.7 -26.47 40.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.448 0.699 . . . . 0.0 110.401 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 . . . . . 0 N--CA 1.48 1.075 0 C-N-CA 123.624 0.77 . . . . 0.0 110.227 175.497 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 p90 . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 123.087 1.422 . . . . 0.0 107.977 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 55.9 ttp -131.18 122.04 25.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 113.632 -1.622 . . . . 0.0 106.743 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 42.7 t -75.16 122.72 87.98 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-O 119.227 -0.416 . . . . 0.0 109.912 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.48 -36.92 98.04 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.937 2.425 . . . . 0.0 113.965 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.5 mt -83.87 -55.8 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.438 ' SG ' ' HG3' ' A' ' 40' ' ' GLU . 10.2 p -120.18 -0.01 10.58 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -168.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.482 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 61.89 24.51 64.76 Favored Glycine 0 N--CA 1.475 1.269 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 169.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG3' ' SG ' ' A' ' 38' ' ' CYS . 39.8 mt-10 -65.01 135.23 55.38 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 120.872 0.368 . . . . 0.0 111.983 171.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -95.16 137.57 34.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.726 1.21 . . . . 0.0 109.902 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.409 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 89.1 m-85 -124.44 157.78 63.84 Favored Pre-proline 0 N--CA 1.48 1.043 0 C-N-CA 123.457 0.703 . . . . 0.0 111.283 -175.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -63.63 -14.52 43.18 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.565 2.177 . . . . 0.0 112.96 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 p -152.05 172.66 15.95 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 123.604 0.762 . . . . 0.0 111.215 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 tp -95.57 54.33 1.56 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 166.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -137.25 -54.77 0.7 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 42' ' ' PHE . 1.2 p -61.0 -36.06 78.49 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.699 171.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.73 -37.48 84.75 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.304 0.642 . . . . 0.0 110.684 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 m -66.52 -47.07 74.11 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.502 0.721 . . . . 0.0 110.564 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -59.72 -47.9 83.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.027 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -63.27 -36.7 84.52 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.044 0.938 . . . . 0.0 111.979 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -61.41 -49.96 74.78 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.008 0.923 . . . . 0.0 110.318 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.532 HG23 HG23 ' A' ' 54' ' ' THR . 30.0 m -78.27 -39.63 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.532 HG23 HG23 ' A' ' 53' ' ' VAL . 70.5 p -90.15 36.12 0.87 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.894 0.878 . . . . 0.0 111.051 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 . . . . . 0 CA--C 1.552 1.057 0 C-N-CA 123.262 0.625 . . . . 0.0 110.393 -161.698 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 121.205 0.526 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.464 ' HB2' HD21 ' A' ' 19' ' ' LEU . 42.4 t -96.35 107.64 20.04 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 170.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -53.68 -46.96 70.83 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.828 0.851 . . . . 0.0 112.633 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.79 -58.18 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.585 0.754 . . . . 0.0 112.132 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.5 m -66.04 -35.32 80.22 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.055 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 p 82.42 -11.37 1.01 Allowed 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 127.824 2.449 . . . . 0.0 110.684 -168.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -92.32 -175.49 4.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.615 1.166 . . . . 0.0 110.04 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 t -151.31 160.26 43.88 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.111 0.564 . . . . 0.0 110.853 -176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.714 ' HD1' ' H ' ' A' ' 15' ' ' SER . 5.3 t80 -93.74 151.51 19.58 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -69.75 -27.49 64.99 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.142 0.577 . . . . 0.0 111.578 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.714 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 30.5 t -99.85 150.95 21.84 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.999 1.32 . . . . 0.0 109.585 172.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -37.27 56.52 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.238 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -75.11 -42.23 56.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.74 0.816 . . . . 0.0 109.357 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.58 -37.63 33.92 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 114.943 -1.026 . . . . 0.0 114.241 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.0 tm? -68.53 -38.59 80.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.603 0.761 . . . . 0.0 110.577 176.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -60.32 -41.08 92.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.63 0.581 . . . . 0.0 111.478 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.98 -42.17 76.93 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.225 0.536 . . . . 0.0 110.761 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.09 -27.09 66.71 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.549 1.139 . . . . 0.0 111.888 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -67.98 -20.95 65.09 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.824 0.85 . . . . 0.0 111.231 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -72.24 -20.9 61.47 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.564 0.745 . . . . 0.0 112.081 -176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.9 p -72.51 -8.05 53.12 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.552 0.741 . . . . 0.0 112.022 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 123.367 0.667 . . . . 0.0 112.051 -173.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 C--O 1.239 0.525 0 CA-C-O 121.164 0.507 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.3 ttm -119.84 142.17 48.87 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.899 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' N ' HD21 ' A' ' 48' ' ' LEU . 7.9 t -59.47 131.22 88.03 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 124.65 1.18 . . . . 0.0 112.731 -176.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -60.47 -43.22 34.91 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 123.085 2.523 . . . . 0.0 113.658 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.93 -53.85 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.3 p -125.31 10.07 7.97 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -173.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.86 41.03 97.53 Favored Glycine 0 N--CA 1.478 1.458 0 N-CA-C 119.026 2.37 . . . . 0.0 119.026 161.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -72.46 130.16 40.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.584 0.754 . . . . 0.0 109.65 162.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -90.2 129.19 36.49 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.324 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -122.7 151.62 60.72 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 123.913 0.885 . . . . 0.0 110.137 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.36 -14.73 45.42 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 123.382 2.722 . . . . 0.0 113.804 -176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 p -151.58 164.0 37.83 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.518 0.675 . . . . 0.0 111.717 -176.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.27 57.46 4.04 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 85.3 mt -146.63 -55.95 0.26 Allowed 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.9 p -71.25 -37.92 71.94 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 113.802 -1.544 . . . . 0.0 111.544 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 35' ' ' CYS . 3.0 tm? -61.79 -43.81 98.12 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.552 0.741 . . . . 0.0 110.024 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.0 m -63.23 -41.69 99.14 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 124.105 0.878 . . . . 0.0 111.426 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 46.9 mt-10 -58.15 -42.54 86.12 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.559 0.744 . . . . 0.0 111.208 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -64.82 -42.03 95.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.723 0.64 . . . . 0.0 111.136 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 39.6 ttpt -67.71 -37.63 82.52 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.405 -173.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.9 m -76.85 -28.48 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 122.461 0.304 . . . . 0.0 111.663 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.8 p -87.98 12.97 11.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.143 0.577 . . . . 0.0 112.183 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.56 1.331 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.243 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 C--O 1.238 0.457 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.88 97.59 1.44 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -56.34 -36.99 69.37 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.236 1.014 . . . . 0.0 112.499 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.44 -47.7 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.705 0.802 . . . . 0.0 111.293 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.9 m -85.67 -33.4 21.58 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.291 0.636 . . . . 0.0 111.602 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t 77.44 11.62 2.18 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 126.694 1.998 . . . . 0.0 111.579 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.2 149.91 22.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.144 0.977 . . . . 0.0 110.251 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -93.87 155.52 17.14 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.645 0.736 . . . . 0.0 111.658 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -81.61 -175.12 5.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.561 169.292 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -125.93 -52.17 1.55 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 171.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.8 p -116.3 153.56 31.73 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 125.037 1.335 . . . . 0.0 108.123 171.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.25 -33.82 76.61 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.659 0.384 . . . . 0.0 111.322 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -73.51 -26.13 60.75 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.13 -38.99 96.74 Favored Glycine 0 C--N 1.353 1.512 0 O-C-N 123.91 0.756 . . . . 0.0 112.244 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.08 -48.8 78.56 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.965 0.506 . . . . 0.0 109.805 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -60.92 -31.24 70.77 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.224 0.952 . . . . 0.0 112.309 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -67.38 -48.95 65.89 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.047 0.939 . . . . 0.0 109.269 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -68.56 -28.36 66.89 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.084 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.45 -33.91 70.26 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.863 1.265 . . . . 0.0 112.285 -173.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -74.91 -19.25 60.21 Favored 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.538 -169.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.1 p -76.86 -9.4 58.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.05 0.54 . . . . 0.0 112.182 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 N--CA 1.484 1.272 0 C-N-CA 123.079 0.552 . . . . 0.0 110.74 176.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--O 1.242 0.702 0 CA-C-O 122.597 1.189 . . . . 0.0 107.831 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.5 ttt -134.11 134.55 42.38 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 113.721 -1.581 . . . . 0.0 107.456 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 40' ' ' GLU . 10.0 t -60.42 132.48 90.73 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.744 0.818 . . . . 0.0 112.118 -176.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -66.2 -39.45 18.0 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.564 2.176 . . . . 0.0 112.965 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.8 mt -80.75 -52.61 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 p -128.82 8.47 5.75 Favored 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.61 39.72 97.88 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 118.616 2.206 . . . . 0.0 118.616 162.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 19.0 mp0 -70.89 125.06 25.81 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.513 0.725 . . . . 0.0 110.54 166.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 140.59 29.4 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 168.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -118.36 175.93 1.88 Allowed Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 123.328 0.651 . . . . 0.0 111.826 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.98 -39.87 47.42 Favored 'Trans proline' 0 C--N 1.392 2.852 0 C-N-CA 122.608 2.205 . . . . 0.0 112.96 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.6 m -155.15 176.49 12.48 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.656 0.782 . . . . 0.0 110.442 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 tp -85.99 76.15 9.87 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.703 0.801 . . . . 0.0 109.96 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -156.71 -53.36 0.08 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.4 p -67.74 -25.49 65.66 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.643 174.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.91 -41.05 87.76 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.778 0.674 . . . . 0.0 110.257 172.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.6 m -65.51 -42.63 91.85 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.115 0.966 . . . . 0.0 110.541 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -62.83 -42.15 99.62 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.849 -1.068 . . . . 0.0 111.228 176.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -62.5 -34.76 77.52 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.108 0.563 . . . . 0.0 111.593 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -67.12 -42.29 84.75 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 123.865 0.728 . . . . 0.0 111.624 -177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.19 -36.18 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.03 0 C-N-CA 123.015 0.526 . . . . 0.0 112.006 -175.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.5 p -97.95 38.48 1.3 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.942 0.897 . . . . 0.0 110.895 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 CA--C 1.559 1.298 0 C-N-CA 122.71 0.404 . . . . 0.0 111.457 -165.19 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.466 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.83 103.88 10.97 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -42.45 -54.29 3.92 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.943 1.697 . . . . 0.0 113.665 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.11 -45.77 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 124.106 0.879 . . . . 0.0 111.448 -173.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.4 m -81.85 -34.23 30.25 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.354 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p 76.6 2.13 3.38 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 128.712 2.805 . . . . 0.0 112.957 -170.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -84.1 149.84 25.95 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.956 0.902 . . . . 0.0 110.599 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 t -91.54 162.03 14.7 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.751 0.82 . . . . 0.0 112.25 -174.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -178.83 6.89 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.255 169.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -135.56 -42.65 0.69 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 166.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -110.84 139.2 46.36 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.745 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.3 -36.83 79.92 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.226 0.61 . . . . 0.0 111.748 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -74.23 -25.73 59.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.332 0.653 . . . . 0.0 110.372 176.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.03 -40.72 98.45 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 124.004 0.815 . . . . 0.0 113.21 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.59 -46.82 87.82 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.338 0.59 . . . . 0.0 109.924 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -68.25 -30.85 69.98 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.609 -175.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -71.78 -46.19 59.15 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.062 0.945 . . . . 0.0 109.859 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -62.3 -27.05 68.77 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.195 -1.366 . . . . 0.0 111.602 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -59.24 -20.25 52.52 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.705 0.802 . . . . 0.0 113.159 -174.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -76.57 -22.66 53.99 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.016 0.927 . . . . 0.0 112.124 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 p -61.73 -23.73 66.34 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.446 1.099 . . . . 0.0 113.936 -168.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 C-N-CA 123.348 0.659 . . . . 0.0 111.485 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 121.332 0.586 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.4 ttp -97.52 141.86 30.06 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.645 1.178 . . . . 0.0 109.374 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.402 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 2.8 t -62.42 133.22 94.5 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 123.925 0.89 . . . . 0.0 111.544 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.1 -44.12 47.0 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 123.014 2.476 . . . . 0.0 113.543 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.7 mt -89.73 -54.86 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.21 0 N-CA-C 113.061 0.764 . . . . 0.0 113.061 -168.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 19.0 p -120.92 9.32 10.6 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.41 34.94 91.31 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 118.307 2.083 . . . . 0.0 118.307 163.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' N ' ' HB3' ' A' ' 35' ' ' CYS . 20.7 mp0 -70.16 126.01 28.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.228 1.011 . . . . 0.0 110.305 164.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' H ' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -88.61 132.55 34.5 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 174.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -124.22 154.84 68.73 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 123.867 0.867 . . . . 0.0 110.565 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -63.01 -22.59 73.82 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 123.136 2.557 . . . . 0.0 114.631 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.7 p -149.06 165.5 31.51 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.362 0.601 . . . . 0.0 111.697 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tt -88.85 60.12 5.36 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 172.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 3.9 tt -158.22 -54.71 0.07 Allowed 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 p -63.2 -43.02 99.35 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 123.975 0.797 . . . . 0.0 110.818 171.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.5 -36.82 83.74 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.265 0.626 . . . . 0.0 109.901 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -65.64 -41.59 92.44 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.962 0.789 . . . . 0.0 111.361 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 16.7 mm-40 -58.23 -43.15 87.63 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.386 0.674 . . . . 0.0 110.85 176.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -68.89 -34.57 75.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.25 0.62 . . . . 0.0 110.895 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.55 -43.78 68.81 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.992 0.917 . . . . 0.0 111.909 -176.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.493 HG23 HG23 ' A' ' 54' ' ' THR . 34.6 m -78.19 -42.77 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 123.124 0.569 . . . . 0.0 112.177 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.493 HG23 HG23 ' A' ' 53' ' ' VAL . 74.8 p -97.96 29.4 3.47 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.278 0.631 . . . . 0.0 110.317 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 CA--C 1.556 1.2 0 C-N-CA 124.477 1.111 . . . . 0.0 112.11 176.679 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp . . . . . 0 C--O 1.241 0.633 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.5 104.05 0.11 Allowed 'General case' 0 C--O 1.21 -0.987 0 C-N-CA 124.322 1.049 . . . . 0.0 112.307 -169.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -58.42 -21.51 51.06 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -75.92 -58.21 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 C-N-CA 123.399 0.68 . . . . 0.0 110.801 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.4 m -89.6 -51.27 5.61 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 122.993 0.517 . . . . 0.0 111.219 -175.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 m 78.27 8.89 2.22 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.482 1.913 . . . . 0.0 112.424 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -59.61 -54.05 50.91 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -178.09 179.15 0.86 Allowed 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.525 0.679 . . . . 0.0 112.482 -160.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -168.35 152.7 6.1 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.841 2.056 . . . . 0.0 106.92 168.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -83.98 -52.01 6.67 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 t -149.71 -171.78 3.98 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 113.556 -1.656 . . . . 0.0 107.066 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.67 -35.91 81.18 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 118.488 0.585 . . . . 0.0 109.703 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -72.54 -33.68 67.0 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.753 0.821 . . . . 0.0 109.491 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.37 -46.35 91.92 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.998 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.86 -40.75 97.28 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.106 0.562 . . . . 0.0 111.68 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -58.12 -40.95 82.54 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.064 0.546 . . . . 0.0 111.71 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.85 -45.06 94.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.702 0.801 . . . . 0.0 109.584 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -65.37 -34.27 77.92 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.286 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.8 -22.09 63.79 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.205 1.002 . . . . 0.0 112.044 -171.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -64.57 -13.96 55.4 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.762 1.225 . . . . 0.0 113.441 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.1 p -71.45 -14.01 62.01 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.076 0.55 . . . . 0.0 110.443 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 . . . . . 0 N--CA 1.479 0.99 0 C-N-CA 124.334 1.054 . . . . 0.0 110.387 -178.026 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.431 ' HD2' ' HG ' ' A' ' 48' ' ' LEU . 3.6 t80 . . . . . 0 C--O 1.243 0.717 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 54.9 ttp -106.39 129.65 54.35 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.041 1.336 . . . . 0.0 107.459 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.493 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 36.4 t -61.77 129.06 91.25 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 122.305 0.242 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.36 -28.48 71.79 Favored 'Trans proline' 0 C--N 1.367 1.533 0 C-N-CA 122.429 2.086 . . . . 0.0 112.797 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.6 mt -94.62 -51.41 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.5 p -131.24 15.48 5.08 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.493 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 43.54 36.92 3.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 120.491 2.957 . . . . 0.0 120.491 161.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.73 156.18 25.13 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 118.773 1.287 . . . . 0.0 110.476 165.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -83.39 126.43 32.72 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.981 0.912 . . . . 0.0 111.026 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -119.91 141.85 32.13 Favored Pre-proline 0 N--CA 1.481 1.099 0 C-N-CA 123.144 0.578 . . . . 0.0 110.216 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -69.47 -6.06 17.54 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 123.52 2.813 . . . . 0.0 114.374 -174.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -154.38 167.99 28.13 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.77 0.795 . . . . 0.0 111.665 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.98 47.75 1.44 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 113.891 -1.504 . . . . 0.0 107.466 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 78.0 mt -144.69 -53.38 0.31 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -64.52 -36.31 83.78 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.714 174.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HG ' ' HD2' ' A' ' 33' ' ' TYR . 3.1 tm? -63.16 -40.54 97.84 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.31 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.4 m -64.72 -39.67 94.03 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.75 0.82 . . . . 0.0 111.44 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 35.4 mm-40 -59.66 -46.31 89.4 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.702 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -61.52 -41.43 97.3 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.12 0.968 . . . . 0.0 111.181 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.53 -35.02 75.07 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.236 1.015 . . . . 0.0 112.811 -172.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.6 m -78.11 -29.05 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 122.465 0.306 . . . . 0.0 111.291 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -95.66 33.96 1.56 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.554 0.741 . . . . 0.0 110.813 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 . . . . . 0 CA--C 1.55 0.968 0 CA-C-O 119.443 -0.313 . . . . 0.0 110.208 -165.773 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.25 93.0 2.79 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 163.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -40.17 -45.19 1.98 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 125.661 1.584 . . . . 0.0 114.874 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -55.69 -45.35 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 123.959 0.904 . . . . 0.0 111.035 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -88.58 -31.78 18.46 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.973 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t 72.41 8.83 5.78 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.292 1.837 . . . . 0.0 111.413 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -107.74 -174.74 2.6 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.499 0.719 . . . . 0.0 110.214 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -148.55 160.25 43.28 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.361 0.6 . . . . 0.0 112.412 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' HD1' ' H ' ' A' ' 15' ' ' SER . 22.0 t80 -99.97 152.06 20.62 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 169.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.21 1.12 1.11 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.563 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 30.0 t -133.82 146.56 50.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.552 1.141 . . . . 0.0 109.237 172.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.3 91.68 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.584 0.552 . . . . 0.0 110.193 173.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -70.91 -27.76 64.02 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.841 0.857 . . . . 0.0 110.104 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.39 -37.89 40.19 Favored Glycine 0 C--N 1.344 0.988 0 O-C-N 123.995 0.81 . . . . 0.0 112.217 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -64.56 -46.4 82.97 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.945 0.898 . . . . 0.0 110.382 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.607 HH21 HD13 ' A' ' 23' ' ' LEU . 2.9 mmp_? -53.93 -48.44 70.22 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.697 0.799 . . . . 0.0 111.257 172.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.29 -26.96 66.8 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.687 0.795 . . . . 0.0 111.431 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -73.3 -46.93 46.75 Favored 'General case' 0 C--O 1.208 -1.081 0 C-N-CA 123.019 0.528 . . . . 0.0 110.134 172.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.607 HD13 HH21 ' A' ' 20' ' ' ARG . 7.0 tt -66.78 -26.29 66.89 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.876 0.87 . . . . 0.0 112.752 -167.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -64.26 -13.81 51.78 Favored 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.1 p -68.7 -25.16 64.64 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.234 0.613 . . . . 0.0 110.53 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 . . . . . 0 N--CA 1.475 0.818 0 C-N-CA 123.353 0.661 . . . . 0.0 109.29 179.071 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 p90 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 28.0 ttt -130.35 122.03 27.11 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 54.0 t -82.82 112.01 34.24 Favored Pre-proline 0 CA--C 1.544 0.746 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 172.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -27.75 -55.8 0.12 Allowed 'Trans proline' 0 C--N 1.391 2.809 1 C-N-CA 126.087 4.525 . . . . 0.0 116.447 -166.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.3 mt -89.98 -49.96 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 C-N-CA 123.218 0.607 . . . . 0.0 111.654 -172.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.842 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -101.2 -41.91 6.54 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -167.467 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.404 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 79.05 39.69 19.02 Favored Glycine 0 C--N 1.354 1.564 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 175.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.842 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 25.7 mm-40 -63.98 123.47 19.08 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 172.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.03 133.81 48.6 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.141 0.977 . . . . 0.0 110.901 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -138.03 154.14 74.02 Favored Pre-proline 0 N--CA 1.482 1.172 0 C-N-CA 123.576 0.75 . . . . 0.0 110.878 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -57.37 -24.29 59.71 Favored 'Trans proline' 0 C--N 1.385 2.456 0 C-N-CA 123.7 2.933 . . . . 0.0 114.139 -176.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.4 m -155.71 166.29 33.96 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.536 0.735 . . . . 0.0 110.401 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -89.06 61.78 5.99 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-O 122.273 1.035 . . . . 0.0 108.582 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -149.96 -55.83 0.17 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -61.37 -36.13 79.37 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.567 172.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.7 -43.64 98.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.106 0.962 . . . . 0.0 110.244 172.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.43 HG23 ' NZ ' ' A' ' 52' ' ' LYS . 21.1 m -65.86 -45.88 80.5 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.622 0.769 . . . . 0.0 111.506 -175.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -59.33 -39.04 81.86 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.12 0.968 . . . . 0.0 111.103 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -70.59 -45.31 65.58 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' NZ ' HG23 ' A' ' 49' ' ' THR . 20.8 pttm -65.4 -34.07 77.45 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -165.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.38 -29.08 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.524 0.73 . . . . 0.0 111.927 -174.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.2 p -75.77 13.28 0.85 Allowed 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -176.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 . . . . . 0 CA--C 1.547 0.837 0 CA-C-O 118.585 -0.721 . . . . 0.0 109.339 173.496 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.5 t -75.31 92.98 2.82 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 172.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -49.24 -38.04 25.38 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 124.861 1.264 . . . . 0.0 113.293 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 t -58.99 -45.54 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.749 0.785 . . . . 0.0 111.138 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.8 m -84.38 -27.7 27.47 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.247 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 p 70.97 11.47 7.03 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.672 2.389 . . . . 0.0 111.744 -169.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -97.35 165.44 12.02 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.253 1.021 . . . . 0.0 111.559 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 t -96.5 160.24 14.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.457 0.703 . . . . 0.0 112.34 -172.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -77.67 -174.99 3.67 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.419 169.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -125.48 -59.19 1.39 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 105.69 -1.966 . . . . 0.0 105.69 170.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 p -109.53 153.75 23.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.191 0.997 . . . . 0.0 108.833 168.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -65.87 -33.18 75.25 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.837 0.455 . . . . 0.0 110.653 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -73.09 -30.74 63.89 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.421 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.33 99.16 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.426 175.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.14 -44.01 92.04 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.086 0.555 . . . . 0.0 110.586 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -60.99 -47.46 86.37 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.592 0.757 . . . . 0.0 112.25 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.54 -42.41 92.28 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.897 0.879 . . . . 0.0 110.626 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -67.96 -39.3 83.39 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.407 1.083 . . . . 0.0 110.29 176.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.42 -35.34 69.95 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.422 1.089 . . . . 0.0 111.85 -171.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -72.16 -17.17 61.97 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.019 0.928 . . . . 0.0 112.905 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -9.26 58.52 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.792 0.437 . . . . 0.0 111.281 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 . . . . . 0 N--CA 1.483 1.219 0 C-N-CA 123.015 0.526 . . . . 0.0 111.058 177.549 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 N--CA 1.473 0.716 0 CA-C-O 121.31 0.576 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 56.8 ttp -106.49 133.02 51.81 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.366 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 35.2 t -60.12 116.58 18.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 123.998 0.919 . . . . 0.0 111.571 -176.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -63.54 -25.81 69.87 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 123.046 2.497 . . . . 0.0 112.551 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.3 mt -78.84 -53.91 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 O-C-N 123.558 0.536 . . . . 0.0 112.213 -173.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.497 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 23.3 p -127.25 -39.56 1.89 Allowed 'General case' 0 C--N 1.362 1.114 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 35' ' ' CYS . . . 119.62 49.08 0.32 Allowed Glycine 0 C--N 1.363 2.047 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 157.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 14.7 mp0 -79.69 125.44 29.65 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.669 1.188 . . . . 0.0 110.171 168.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -83.81 123.32 29.77 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.409 ' HD2' HD23 ' A' ' 48' ' ' LEU . 51.4 m-85 -116.93 155.25 49.47 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.342 1.057 . . . . 0.0 110.437 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.08 -22.83 25.58 Favored 'Trans proline' 0 C--N 1.387 2.561 0 C-N-CA 122.83 2.353 . . . . 0.0 112.668 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.6 p -158.36 168.89 25.76 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 121.505 0.669 . . . . 0.0 111.785 -171.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -87.58 71.0 9.8 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.5 mt -152.1 -54.23 0.13 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -72.74 -37.47 67.72 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.461 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.409 HD23 ' HD2' ' A' ' 42' ' ' PHE . 3.2 tm? -59.67 -39.32 84.07 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.915 0.486 . . . . 0.0 109.899 172.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.5 m -62.15 -41.85 98.69 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.571 0.749 . . . . 0.0 111.623 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.74 -37.55 87.8 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.362 0.665 . . . . 0.0 111.201 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.61 -50.42 31.0 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.757 0.823 . . . . 0.0 112.613 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -62.5 -35.07 78.22 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.602 0.761 . . . . 0.0 112.064 -174.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.6 m -74.91 -29.68 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 C-N-CA 122.677 0.391 . . . . 0.0 111.724 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.6 p -97.42 12.74 32.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.989 0.516 . . . . 0.0 112.058 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 123.531 0.732 . . . . 0.0 110.645 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.4 mttt . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 121.592 0.71 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.4 t -88.52 104.56 16.94 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 165.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -47.87 -43.99 28.95 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.368 1.067 . . . . 0.0 113.632 -170.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.77 -45.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.191 0.996 . . . . 0.0 111.525 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.2 m -87.38 -32.22 19.69 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.125 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.2 p 66.23 16.02 10.29 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 126.802 2.041 . . . . 0.0 112.305 -169.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -114.98 -176.9 3.0 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.438 1.095 . . . . 0.0 110.748 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -148.22 164.2 34.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.657 0.783 . . . . 0.0 111.196 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -107.49 149.48 27.91 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.963 1.305 . . . . 0.0 109.818 173.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -53.93 -25.61 21.3 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.831 1.252 . . . . 0.0 113.272 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 m -110.22 136.06 50.01 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 171.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -36.09 82.93 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.201 0.6 . . . . 0.0 109.719 173.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -73.1 -28.03 62.04 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.255 1.022 . . . . 0.0 111.176 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.11 -35.6 64.3 Favored Glycine 0 C--N 1.344 1.007 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.9 -45.64 67.15 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.28 1.032 . . . . 0.0 110.456 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -59.92 -43.73 94.72 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.52 0.728 . . . . 0.0 111.896 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.58 -43.11 89.35 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.544 0.737 . . . . 0.0 109.925 173.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -64.8 -36.36 84.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.378 1.071 . . . . 0.0 111.559 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.64 -24.99 65.98 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.41 -22.31 63.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.654 1.182 . . . . 0.0 113.05 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 p -72.11 -17.1 62.01 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.5 0.72 . . . . 0.0 111.284 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 N--CA 1.48 1.074 0 C-N-CA 123.426 0.69 . . . . 0.0 111.793 -175.321 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.435 ' HD2' ' HG ' ' A' ' 48' ' ' LEU . 8.3 t80 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 49.8 ttm -98.48 140.48 32.66 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.644 1.178 . . . . 0.0 108.046 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.569 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 48.5 t -68.62 126.87 93.16 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.087 -0.482 . . . . 0.0 110.678 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.95 -37.28 94.34 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.863 2.375 . . . . 0.0 111.879 174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.6 mt -84.19 -54.09 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.281 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.747 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 13.9 p -129.83 12.12 5.72 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -174.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.569 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 60.29 22.96 59.36 Favored Glycine 0 N--CA 1.48 1.596 0 N-CA-C 117.368 1.707 . . . . 0.0 117.368 173.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.747 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 18.2 mm-40 -61.64 133.27 55.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 117.386 0.593 . . . . 0.0 110.69 168.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -89.27 125.83 35.26 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.582 0.753 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -132.06 146.61 62.41 Favored Pre-proline 0 N--CA 1.476 0.864 0 C-N-CA 123.976 0.91 . . . . 0.0 109.516 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -59.88 -19.88 56.97 Favored 'Trans proline' 0 C--N 1.381 2.278 0 C-N-CA 123.836 3.024 . . . . 0.0 115.07 -171.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 p -150.74 172.02 16.25 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.716 0.769 . . . . 0.0 111.799 -171.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.47 43.83 1.17 Allowed 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.099 -1.409 . . . . 0.0 108.005 175.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -141.72 -53.87 0.45 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.2 p -68.74 -33.48 73.99 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.453 -1.248 . . . . 0.0 111.912 174.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 35' ' ' CYS . 2.2 tm? -70.36 -38.79 74.84 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 172.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 m -62.62 -46.07 89.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.456 0.702 . . . . 0.0 111.316 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.41 -38.21 90.25 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.514 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -63.46 -43.73 96.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.113 0.965 . . . . 0.0 110.86 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 55' ' ' HIS . 36.0 ttpt -68.99 -35.26 76.5 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.127 -172.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -80.04 -35.63 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 122.819 0.448 . . . . 0.0 112.153 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 p -94.79 36.98 1.15 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.144 0.978 . . . . 0.0 110.707 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 52' ' ' LYS . 17.9 t-80 . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 123.105 0.562 . . . . 0.0 110.333 -162.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp . . . . . 0 C--O 1.238 0.47 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.488 ' HB2' HD21 ' A' ' 19' ' ' LEU . 40.9 t -70.19 96.47 1.09 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.79 -29.98 13.02 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.401 1.08 . . . . 0.0 112.036 173.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 t -68.5 -49.9 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.738 0.815 . . . . 0.0 110.927 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.2 m -91.51 -86.82 0.22 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.8 m 175.41 -51.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.48 1.512 . . . . 0.0 109.58 -172.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HG3' ' H ' ' A' ' 12' ' ' THR . 21.8 tpp180 -85.73 -176.94 6.24 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.846 0.859 . . . . 0.0 111.309 -164.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.535 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 9.9 t -128.73 156.25 43.81 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 125.079 1.351 . . . . 0.0 109.242 -169.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.604 ' HD1' ' H ' ' A' ' 15' ' ' SER . 6.9 t80 -108.22 138.63 44.17 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -46.94 -36.58 7.81 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.019 1.328 . . . . 0.0 113.533 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.604 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 59.9 p -108.56 141.29 40.68 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.53 0.732 . . . . 0.0 109.955 175.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.11 -46.34 79.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.141 0.976 . . . . 0.0 110.608 171.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -56.22 -33.47 65.4 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.746 1.219 . . . . 0.0 111.602 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.45 -40.86 31.8 Favored Glycine 0 C--N 1.344 1.011 0 O-C-N 124.134 0.896 . . . . 0.0 112.154 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.2 tm? -65.25 -44.41 88.24 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 117.479 0.639 . . . . 0.0 109.585 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -53.4 -46.65 69.78 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 124.273 0.983 . . . . 0.0 111.397 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' HA ' HE21 ' A' ' 24' ' ' GLN . 43.8 tt0 -64.37 -38.33 90.66 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.253 1.021 . . . . 0.0 110.833 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -70.66 -34.89 72.52 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.775 1.23 . . . . 0.0 111.086 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tt -65.42 -34.28 77.92 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.964 1.305 . . . . 0.0 111.568 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.467 HE21 ' HA ' ' A' ' 21' ' ' GLU . 36.7 mt-30 -56.85 -24.68 53.11 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.901 0.88 . . . . 0.0 112.507 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.0 p -78.23 -25.98 47.18 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 123.783 0.833 . . . . 0.0 111.093 -172.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 123.179 0.592 . . . . 0.0 112.354 -171.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.826 0.346 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.8 ttt -113.06 141.16 47.2 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.999 0.919 . . . . 0.0 109.459 -172.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.02 134.59 92.93 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.891 0.877 . . . . 0.0 112.338 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.88 -47.4 8.73 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.71 2.274 . . . . 0.0 112.683 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.5 mt -78.15 -54.48 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -169.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.413 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 8.5 p -123.86 7.7 8.72 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.97 34.31 88.45 Favored Glycine 0 N--CA 1.483 1.771 0 N-CA-C 117.89 1.916 . . . . 0.0 117.89 164.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 18.2 mp0 -59.41 141.29 54.97 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.432 1.093 . . . . 0.0 111.143 165.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -90.72 127.99 36.51 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 124.024 0.929 . . . . 0.0 110.008 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -136.74 140.96 33.47 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 123.378 0.671 . . . . 0.0 109.227 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.37 -13.1 32.79 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.173 2.582 . . . . 0.0 113.974 -174.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.0 p -148.29 166.97 26.41 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.378 0.609 . . . . 0.0 111.385 -172.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.5 43.07 1.13 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -139.02 -54.85 0.59 Allowed 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.4 p -60.56 -38.09 83.42 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.113 169.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.88 -36.87 85.77 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.148 0.579 . . . . 0.0 109.879 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.0 m -64.35 -46.06 85.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.432 0.693 . . . . 0.0 111.291 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.38 -48.93 68.2 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 123.141 0.577 . . . . 0.0 111.711 172.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -60.92 -38.02 84.3 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.647 0.379 . . . . 0.0 111.407 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -71.47 -39.6 70.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.917 0.887 . . . . 0.0 111.292 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -82.33 -36.06 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.017 0.527 . . . . 0.0 111.563 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.8 p -82.42 13.1 3.83 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.119 0.567 . . . . 0.0 111.974 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 CA--C 1.559 1.301 0 C-N-CA 123.454 0.701 . . . . 0.0 111.43 -179.549 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? . . . . . 0 C--O 1.241 0.608 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.54 99.55 8.87 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -46.82 -43.24 18.29 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.136 1.374 . . . . 0.0 113.907 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.86 -48.84 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 123.447 0.699 . . . . 0.0 111.123 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.6 m -74.74 -36.21 62.64 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.249 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m 69.13 8.79 7.03 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.61 1.564 . . . . 0.0 111.93 -167.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -106.19 164.89 11.64 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.539 0.736 . . . . 0.0 111.188 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.4 p -115.88 162.04 17.91 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.216 1.006 . . . . 0.0 112.511 -166.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.41 ' HB3' HD23 ' A' ' 19' ' ' LEU . 40.3 p90 -78.61 -174.72 4.0 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -176.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -111.13 -61.18 1.73 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 170.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.5 p -107.2 158.77 16.84 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.791 0.836 . . . . 0.0 109.285 172.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.06 -41.47 95.08 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.227 0.611 . . . . 0.0 111.464 -172.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -75.12 -21.82 58.62 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.53 0.732 . . . . 0.0 110.203 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.91 -37.66 91.38 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.823 174.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' A' ' 13' ' ' PHE . 1.3 tm? -70.47 -42.08 71.92 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -62.39 -41.62 98.79 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.144 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.41 -45.16 73.37 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.751 0.82 . . . . 0.0 110.436 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -61.68 -31.14 71.25 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.688 0.795 . . . . 0.0 111.908 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.44 -25.28 68.2 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.3 0.64 . . . . 0.0 111.959 -172.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -63.57 -22.33 66.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.644 1.178 . . . . 0.0 112.92 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.3 p -69.34 -9.05 51.59 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.088 0.955 . . . . 0.0 112.085 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 . . . . . 0 N--CA 1.485 1.299 0 C-N-CA 123.595 0.758 . . . . 0.0 111.108 -177.138 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.6 ttp -130.53 116.42 18.14 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.42 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 40.7 t -55.5 132.74 70.94 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 123.528 0.731 . . . . 0.0 112.564 -174.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.03 -37.32 43.69 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 122.203 1.935 . . . . 0.0 112.471 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mt -85.68 -54.47 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.733 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 13.7 p -122.87 3.49 9.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 62.93 27.74 70.79 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 116.647 1.419 . . . . 0.0 116.647 170.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.733 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 41.0 mm-40 -65.58 146.77 54.43 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 122.914 0.486 . . . . 0.0 111.831 168.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -102.89 139.26 38.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.561 1.145 . . . . 0.0 109.371 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -130.35 156.28 79.72 Favored Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 123.223 0.609 . . . . 0.0 110.783 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -64.13 -14.37 43.22 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.084 2.523 . . . . 0.0 113.944 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.0 p -149.73 168.07 24.68 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.889 0.852 . . . . 0.0 111.452 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tt -92.27 49.65 1.54 Allowed 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 87.3 mt -147.52 -51.29 0.19 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -176.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.6 p -63.7 -36.91 85.41 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.607 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.03 -29.17 68.91 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 123.093 0.557 . . . . 0.0 110.586 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.9 m -68.94 -45.33 71.05 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.853 0.861 . . . . 0.0 110.812 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 46.3 mt-10 -58.63 -48.62 80.41 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.479 177.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -58.51 -40.1 81.91 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.482 1.113 . . . . 0.0 112.367 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -60.93 -46.62 89.94 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.971 0.794 . . . . 0.0 112.27 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 m -78.86 -40.32 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 122.804 0.442 . . . . 0.0 112.19 -173.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.3 p -94.21 37.96 1.1 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.247 1.019 . . . . 0.0 110.585 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--O 1.25 1.091 0 C-N-CA 123.376 0.67 . . . . 0.0 110.672 -165.203 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.795 0.331 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.567 ' HB2' HD21 ' A' ' 19' ' ' LEU . 42.3 t -82.83 107.17 15.25 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 171.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -56.89 -38.71 73.16 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.578 0.751 . . . . 0.0 112.008 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.7 -56.98 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 C-N-CA 123.401 0.68 . . . . 0.0 111.322 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.91 -28.9 64.86 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.1 p 70.53 2.71 4.19 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 127.003 2.121 . . . . 0.0 111.846 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -101.26 165.12 11.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.311 1.044 . . . . 0.0 109.913 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -119.77 153.74 35.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.833 0.853 . . . . 0.0 109.931 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' HD2' ' H ' ' A' ' 15' ' ' SER . 23.6 t80 -87.33 162.16 17.53 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -64.1 -30.95 71.98 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.912 0.485 . . . . 0.0 110.654 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.57 ' H ' ' HD2' ' A' ' 13' ' ' PHE . 15.9 t -125.97 163.15 23.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.713 1.205 . . . . 0.0 109.112 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -88.66 -30.54 19.08 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -169.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -75.0 -42.37 57.67 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.38 -39.86 60.11 Favored Glycine 0 C--N 1.345 1.061 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.457 172.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.6 tm? -65.65 -47.14 76.57 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 123.271 0.628 . . . . 0.0 110.851 174.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -55.2 -42.03 72.73 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.552 0.741 . . . . 0.0 112.213 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -67.99 -39.9 83.19 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.927 0.491 . . . . 0.0 110.328 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.91 -26.75 68.45 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.058 0.943 . . . . 0.0 111.448 174.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 tt -71.51 -27.9 63.53 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -78.47 -27.62 46.36 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 124.046 0.939 . . . . 0.0 111.283 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.1 p -65.46 -12.03 48.68 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 N--CA 1.483 1.179 0 C-N-CA 123.054 0.542 . . . . 0.0 111.026 178.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.547 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER . . . . . 0 CA--C 1.551 1.008 0 CA-C-O 120.94 0.4 . . . . 0.0 110.489 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.0 ttt -106.09 132.98 51.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 170.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 36.1 t -60.38 121.17 58.05 Favored Pre-proline 0 CA--C 1.551 0.992 0 O-C-N 123.536 0.523 . . . . 0.0 111.092 -176.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.98 -36.05 98.35 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.697 2.265 . . . . 0.0 113.59 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.8 mt -88.52 -53.31 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -172.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.727 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 6.6 p -116.87 -0.98 12.11 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 66.65 29.31 74.54 Favored Glycine 0 C--N 1.341 0.82 0 N-CA-C 116.859 1.504 . . . . 0.0 116.859 170.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.727 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 28.9 mm-40 -67.71 113.37 5.44 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 117.247 0.524 . . . . 0.0 110.11 165.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -83.14 126.98 33.2 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -116.77 153.86 49.32 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 123.933 0.893 . . . . 0.0 110.012 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.82 -13.57 40.44 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 123.071 2.514 . . . . 0.0 113.309 -175.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.3 p -153.04 169.09 23.78 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.535 0.683 . . . . 0.0 111.4 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.547 ' HG ' ' HB2' ' A' ' 33' ' ' TYR . 5.3 mp -88.78 42.12 1.06 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.753 1.221 . . . . 0.0 109.265 176.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.4 mt -138.21 -53.58 0.62 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -168.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 p -67.68 -34.85 77.73 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 112.981 -1.918 . . . . 0.0 111.357 172.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.464 ' HG ' ' HB3' ' A' ' 33' ' ' TYR . 2.8 tm? -66.14 -35.42 80.44 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -67.9 -38.73 83.33 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.061 0.544 . . . . 0.0 110.924 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.1 -38.25 88.16 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.475 172.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -70.69 -51.51 27.16 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.095 0.958 . . . . 0.0 112.695 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.52 -30.62 65.31 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -167.267 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.3 m -62.95 -20.62 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 124.018 0.927 . . . . 0.0 113.03 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -79.29 -2.67 42.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.951 0.501 . . . . 0.0 112.296 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--O 1.249 1.043 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.061 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--O 1.237 0.4 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.0 t -94.53 82.04 3.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.332 1.053 . . . . 0.0 108.415 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -57.42 -35.92 70.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.301 1.44 . . . . 0.0 114.741 -167.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.4 t -58.53 -45.61 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.164 0.586 . . . . 0.0 111.61 -171.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.0 p -92.82 -28.71 16.37 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.23 0.612 . . . . 0.0 111.014 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 m 99.43 3.05 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 128.051 2.541 . . . . 0.0 112.696 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -81.17 146.2 30.63 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.828 0.451 . . . . 0.0 110.545 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -98.66 170.53 8.73 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 123.546 0.738 . . . . 0.0 110.846 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.462 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -76.57 169.22 18.67 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.813 0.816 . . . . 0.0 112.247 175.65 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -112.86 -59.62 1.99 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -114.32 170.98 7.9 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 114.297 -1.32 . . . . 0.0 107.524 163.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.85 -34.96 77.72 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 117.683 0.22 . . . . 0.0 110.819 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -74.89 -28.55 60.68 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.171 0.589 . . . . 0.0 110.058 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.98 -36.44 88.18 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.949 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 2.7 tm? -60.87 -47.3 87.0 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.339 0.655 . . . . 0.0 109.94 172.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -63.82 -39.1 93.42 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 124.366 1.041 . . . . 0.0 111.465 -173.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.83 -47.94 64.76 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.45 0.7 . . . . 0.0 110.003 176.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -60.71 -29.08 69.13 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.98 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.19 -33.16 75.14 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.58 0.752 . . . . 0.0 110.921 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -73.97 -17.38 61.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.139 0.976 . . . . 0.0 111.594 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.1 p -68.87 -12.8 61.94 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.15 0.58 . . . . 0.0 111.624 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 123.908 0.883 . . . . 0.0 110.128 179.401 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.615 0.721 . . . . 0.0 112.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 47.6 ttm -100.89 140.31 35.35 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.367 -1.288 . . . . 0.0 107.844 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HA ' HD21 ' A' ' 48' ' ' LEU . 20.2 t -58.57 130.83 85.23 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.779 0.832 . . . . 0.0 111.917 -178.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.07 -40.36 34.27 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.525 2.15 . . . . 0.0 112.18 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mt -81.49 -53.63 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -168.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 p -127.39 8.78 6.55 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.38 36.08 92.91 Favored Glycine 0 N--CA 1.477 1.387 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 163.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -69.68 122.48 19.22 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.038 0.935 . . . . 0.0 109.478 164.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -73.37 132.2 42.75 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.448 ' HD2' HD23 ' A' ' 48' ' ' LEU . 68.2 m-85 -127.7 152.2 76.53 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 124.079 0.952 . . . . 0.0 109.629 175.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -64.34 -28.6 63.33 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.569 2.179 . . . . 0.0 113.218 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -159.14 175.16 13.81 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 121.411 0.624 . . . . 0.0 111.964 -170.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 1.9 pp -82.27 45.24 0.93 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.115 1.366 . . . . 0.0 112.134 178.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -132.24 -55.47 0.97 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 -177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -69.27 -35.19 75.82 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.156 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 35' ' ' CYS . 3.2 tm? -66.33 -40.09 89.65 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -63.45 -45.0 92.9 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.512 0.725 . . . . 0.0 111.149 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -61.55 -43.32 99.08 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.887 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.68 -37.81 85.49 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.576 0.75 . . . . 0.0 111.183 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.55 -40.71 69.82 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.798 0.839 . . . . 0.0 112.422 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.2 m -77.14 -28.98 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 122.172 -0.33 . . . . 0.0 111.538 -176.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.9 p -98.84 14.4 29.03 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.279 0.632 . . . . 0.0 111.749 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 . . . . . 0 CA--C 1.556 1.179 0 C-N-CA 123.292 0.637 . . . . 0.0 111.002 179.414 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 33.9 t -73.34 22.37 0.07 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 116.161 1.911 . . . . 0.0 116.161 -158.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 52.35 -68.51 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 126.025 1.73 . . . . 0.0 115.128 153.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.47 -50.67 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.811 1.244 . . . . 0.0 109.376 173.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.548 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 96.4 m -68.26 -48.12 65.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.552 169.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.2 p 46.03 74.87 0.13 Allowed 'General case' 0 C--N 1.361 1.077 0 O-C-N 124.924 1.39 . . . . 0.0 110.406 -165.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.548 ' HG2' ' HB3' ' A' ' 9' ' ' CYS . 15.2 mmm180 -125.0 -71.87 0.69 Allowed 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -168.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -179.92 -170.43 0.15 Allowed 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.162 -161.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -164.89 147.09 8.17 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.702 1.601 . . . . 0.0 107.583 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -78.53 -42.59 29.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.1 p -161.66 -173.39 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 113.419 -1.719 . . . . 0.0 108.521 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 37.6 mm-40 -61.31 -47.84 84.13 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 171.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -68.9 -31.56 70.57 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.485 0.714 . . . . 0.0 110.019 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.05 -51.15 60.92 Favored Glycine 0 C--N 1.354 1.557 0 O-C-N 124.485 1.116 . . . . 0.0 111.85 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.44 HD21 ' N ' ' A' ' 6' ' ' CYS . 2.7 tm? -59.21 -50.36 74.34 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.219 1.008 . . . . 0.0 111.549 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 18.6 mtm180 -63.65 -41.58 98.2 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.255 -174.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -46.36 79.68 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.884 0.874 . . . . 0.0 109.755 174.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -70.64 -27.46 64.07 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.341 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -63.78 -23.34 67.32 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.541 0.737 . . . . 0.0 112.874 -172.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.29 -19.44 46.18 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.196 0.998 . . . . 0.0 113.008 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.0 p -76.02 -1.96 28.33 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.777 0.831 . . . . 0.0 111.847 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 . . . . . 0 N--CA 1.488 1.46 0 C-N-CA 123.844 0.857 . . . . 0.0 110.874 -177.793 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.599 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.242 0.685 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.3 ttm -93.79 119.42 32.73 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 166.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 9.3 t -64.0 127.12 91.42 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 123.378 0.671 . . . . 0.0 110.867 -168.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -52.11 -44.92 42.47 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.161 2.574 . . . . 0.0 114.784 -172.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.9 mt -84.53 -51.96 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 p -99.54 -37.64 9.09 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.496 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 73.9 28.52 64.62 Favored Glycine 0 C--N 1.349 1.289 0 N-CA-C 115.367 0.907 . . . . 0.0 115.367 173.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.19 164.09 24.98 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.442 0.697 . . . . 0.0 111.86 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -93.26 122.59 35.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.617 0.767 . . . . 0.0 109.901 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.413 ' HE2' ' HB2' ' A' ' 35' ' ' CYS . 73.8 m-85 -112.57 140.81 24.27 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 123.628 0.771 . . . . 0.0 109.578 177.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -54.09 -32.76 70.93 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 123.424 2.749 . . . . 0.0 112.939 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 t -161.7 179.59 8.02 Favored 'General case' 0 C--O 1.247 0.939 0 C-N-CA 123.542 0.737 . . . . 0.0 109.994 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.599 ' HG ' ' HB2' ' A' ' 33' ' ' TYR . 2.1 tt -92.54 59.33 3.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.67 0.788 . . . . 0.0 108.904 -174.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mp -139.25 -48.27 0.48 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.1 p -62.95 -28.68 70.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.577 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' HG ' ' HB3' ' A' ' 33' ' ' TYR . 3.2 tm? -60.56 -44.66 95.92 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 171.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 m -65.49 -41.73 92.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.638 0.775 . . . . 0.0 110.914 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.88 -42.96 94.37 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.184 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -70.68 -47.92 57.42 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.512 1.125 . . . . 0.0 113.537 -174.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -33.75 41.98 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 124.465 1.106 . . . . 0.0 113.711 -167.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.2 m -60.51 -25.28 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 123.941 0.896 . . . . 0.0 112.447 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.8 p -83.63 0.96 44.6 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 . . . . . 0 CA--C 1.554 1.097 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.211 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.437 ' HB2' HD21 ' A' ' 19' ' ' LEU . 43.2 t -70.26 91.07 0.71 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 171.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -54.81 -32.07 59.93 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.794 1.238 . . . . 0.0 112.416 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.2 t -56.62 -44.12 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 124.143 0.977 . . . . 0.0 110.583 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.2 m -88.35 -22.82 23.61 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.581 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m 75.98 7.9 3.6 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.648 1.979 . . . . 0.0 112.098 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -115.59 174.19 6.14 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.395 0.678 . . . . 0.0 110.529 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -121.9 156.02 34.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.763 0.825 . . . . 0.0 110.125 -172.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.424 ' HD1' ' H ' ' A' ' 15' ' ' SER . 3.1 t80 -107.57 136.79 46.74 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 165.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -73.39 0.15 13.04 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.424 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 29.5 m -132.38 136.28 46.71 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.052 0.941 . . . . 0.0 109.794 173.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.36 -55.68 30.71 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.468 1.107 . . . . 0.0 112.393 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.04 -19.32 63.3 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.545 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.2 -36.85 49.92 Favored Glycine 0 C--N 1.343 0.921 0 O-C-N 123.894 0.746 . . . . 0.0 111.733 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.7 tm? -63.98 -46.81 82.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.058 0.943 . . . . 0.0 110.296 171.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -62.58 -32.45 73.44 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.807 0.843 . . . . 0.0 111.473 176.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.19 -32.82 59.19 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.501 0.72 . . . . 0.0 110.585 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 25' ' ' THR . 36.1 t60 -67.27 -36.73 82.19 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.891 0.876 . . . . 0.0 109.651 172.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -23.21 66.25 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.816 1.246 . . . . 0.0 111.171 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -63.91 -15.51 59.26 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.601 0.76 . . . . 0.0 112.925 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 22' ' ' HIS . 4.9 t -81.77 -20.15 39.82 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.804 0.442 . . . . 0.0 110.981 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 . . . . . 0 N--CA 1.483 1.214 0 C-N-CA 124.627 1.171 . . . . 0.0 110.609 177.766 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 . . . . . 0 N--CA 1.475 0.798 0 CA-C-O 121.307 0.575 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.1 ttm -110.1 143.3 40.35 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.387 1.475 . . . . 0.0 107.37 171.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.63 143.44 96.49 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 122.651 0.38 . . . . 0.0 111.777 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.87 -48.6 0.47 Allowed 'Trans proline' 0 CA--C 1.556 1.581 0 C-N-CA 122.021 1.814 . . . . 0.0 113.128 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -78.84 -51.97 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -167.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.5 p -109.77 -39.83 4.99 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.488 0.585 . . . . 0.0 111.436 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.34 39.76 4.4 Favored Glycine 0 C--N 1.348 1.205 0 N-CA-C 116.725 1.45 . . . . 0.0 116.725 156.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.26 160.25 29.02 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 117.631 0.716 . . . . 0.0 110.617 167.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -86.59 146.38 26.37 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.81 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -123.43 145.44 46.78 Favored Pre-proline 0 N--CA 1.483 1.215 0 C-N-CA 123.355 0.662 . . . . 0.0 111.288 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -73.39 -18.65 22.9 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.314 2.676 . . . . 0.0 112.996 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 p -158.94 164.38 35.67 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.453 0.701 . . . . 0.0 111.184 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -84.6 79.15 9.69 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 57.2 tp -160.92 -55.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -65.77 -31.67 72.78 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.973 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.1 -44.09 91.93 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.352 0.661 . . . . 0.0 110.33 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.8 m -67.92 -41.79 82.07 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.621 0.768 . . . . 0.0 111.249 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 7.9 mm-40 -62.56 -40.33 96.48 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.718 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -71.15 -37.42 72.26 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.895 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -57.04 -51.68 68.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.216 1.006 . . . . 0.0 111.35 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.94 -26.5 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.757 -174.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.7 p -86.84 5.45 36.67 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 118.894 -0.574 . . . . 0.0 111.386 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt . . . . . 0 C--O 1.244 0.778 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.9 t -78.2 94.52 4.77 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -49.18 -40.27 32.51 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.811 1.244 . . . . 0.0 113.698 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.92 -44.85 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 C-N-CA 124.05 0.94 . . . . 0.0 110.874 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.4 m -79.88 -30.02 40.08 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.764 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 m 72.96 9.74 5.4 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.561 1.945 . . . . 0.0 112.836 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -113.58 168.24 9.93 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -101.57 162.5 12.86 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.475 -163.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.457 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -77.87 -175.04 3.79 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.369 174.354 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -133.77 -55.0 0.88 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.9 p -105.43 146.06 30.0 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 124.556 1.142 . . . . 0.0 108.344 168.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.95 -39.13 87.2 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.883 0.473 . . . . 0.0 110.797 -175.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -73.59 -21.76 60.24 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.034 0.534 . . . . 0.0 110.162 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.95 97.65 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.885 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.59 -42.26 98.61 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.12 0.568 . . . . 0.0 110.247 174.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -58.76 -49.66 76.81 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 124.162 0.914 . . . . 0.0 111.475 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.34 -38.34 89.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.453 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -66.52 -36.1 81.87 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.21 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -63.98 -18.24 64.09 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.989 0.516 . . . . 0.0 111.521 -173.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -71.31 -13.24 61.82 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.623 1.169 . . . . 0.0 112.581 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.4 p -73.83 -11.61 60.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.984 0.514 . . . . 0.0 110.972 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 . . . . . 0 N--CA 1.483 1.197 0 C-N-CA 124.362 1.065 . . . . 0.0 108.666 179.1 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.428 ' HE1' ' HE ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 121.222 0.535 . . . . 0.0 109.772 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 51.4 ttm -110.05 129.82 55.63 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 12.2 t -74.49 121.99 86.5 Favored Pre-proline 0 CA--C 1.56 1.332 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.964 -177.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -46.06 -41.19 21.25 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 124.381 3.388 . . . . 0.0 116.291 -174.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.1 mt -91.98 -53.91 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.526 ' SG ' ' HG3' ' A' ' 40' ' ' GLU . 6.5 p -104.63 -19.62 13.91 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -167.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.424 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 73.1 18.13 79.03 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 116.055 1.182 . . . . 0.0 116.055 173.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HG3' ' SG ' ' A' ' 38' ' ' CYS . 51.3 mt-10 -67.16 127.87 34.23 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 117.284 0.542 . . . . 0.0 111.139 173.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.428 ' HE ' ' HE1' ' A' ' 33' ' ' TYR . 2.1 tmt_? -87.18 135.44 33.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.655 1.182 . . . . 0.0 109.938 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -121.69 160.21 47.51 Favored Pre-proline 0 N--CA 1.483 1.182 0 C-N-CA 124.54 1.136 . . . . 0.0 109.836 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -56.8 -26.08 64.59 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 123.26 2.64 . . . . 0.0 113.564 -175.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.6 m -146.13 162.52 37.78 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.23 0.612 . . . . 0.0 110.105 -177.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 tp -88.85 54.43 3.01 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 122.649 1.214 . . . . 0.0 108.056 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 45.3 tp -150.45 -53.39 0.15 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -61.76 -33.97 75.02 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.62 168.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.33 -43.18 99.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.204 1.002 . . . . 0.0 109.937 172.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 m -65.62 -45.28 83.7 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.974 0.91 . . . . 0.0 111.187 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 13.3 mm-40 -55.22 -46.11 75.93 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.301 1.04 . . . . 0.0 110.845 175.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -66.9 -40.24 87.66 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 123.772 0.67 . . . . 0.0 110.932 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.78 -46.14 86.55 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.066 0.946 . . . . 0.0 110.781 -169.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.36 -31.88 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 122.848 0.459 . . . . 0.0 111.609 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -87.64 21.36 2.6 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.696 172.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt . . . . . 0 C--O 1.241 0.617 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -89.04 104.8 17.32 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 165.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -51.56 -44.84 62.83 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.575 1.15 . . . . 0.0 112.547 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.89 -44.75 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.997 -173.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.1 m -81.52 -31.62 32.71 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.516 0.726 . . . . 0.0 111.588 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 m 77.46 8.59 2.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.137 1.775 . . . . 0.0 110.923 -171.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -117.15 -158.83 0.71 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.771 1.228 . . . . 0.0 109.474 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -164.24 177.44 8.32 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.127 0.489 . . . . 0.0 112.189 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -97.78 146.64 25.2 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 164.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -79.35 18.03 0.75 Allowed 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 118.823 0.738 . . . . 0.0 112.185 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -147.22 147.69 30.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.236 1.415 . . . . 0.0 108.173 169.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 2.5 mp0 -68.84 -48.2 64.11 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.813 0.845 . . . . 0.0 112.364 -168.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.65 -27.95 65.47 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.911 0.484 . . . . 0.0 110.213 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.1 -36.53 56.54 Favored Glycine 0 C--N 1.348 1.24 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.283 176.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.71 -41.29 96.09 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.799 0.84 . . . . 0.0 110.642 173.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 31.7 mmm180 -58.76 -37.09 75.48 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.871 0.732 . . . . 0.0 111.505 173.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.61 -38.85 74.0 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.564 0.746 . . . . 0.0 110.633 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -63.49 -37.81 88.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.336 1.054 . . . . 0.0 110.824 177.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.37 -28.8 63.5 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.871 1.268 . . . . 0.0 112.102 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.7 -20.34 66.26 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.775 0.83 . . . . 0.0 113.054 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.6 p -71.41 -25.85 62.51 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.945 0.498 . . . . 0.0 111.017 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 123.529 0.732 . . . . 0.0 111.124 -178.694 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.441 ' HA ' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.238 0.479 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.1 ttp -125.41 127.44 46.55 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.089 -171.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.638 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 34.6 t -83.31 126.46 71.77 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-O 118.988 -0.529 . . . . 0.0 110.312 173.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -47.14 -52.8 7.24 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 123.033 2.489 . . . . 0.0 114.024 167.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.4 mt -72.08 -55.91 11.83 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.13 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -172.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -44.45 4.01 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 118.313 0.506 . . . . 0.0 111.647 -173.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.638 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 91.65 31.35 9.51 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 115.078 0.791 . . . . 0.0 115.078 166.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -78.71 164.62 24.43 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.646 0.778 . . . . 0.0 111.665 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -115.09 138.42 50.91 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.141 0.976 . . . . 0.0 109.297 -175.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -124.37 161.69 46.37 Favored Pre-proline 0 N--CA 1.479 0.975 0 C-N-CA 124.035 0.934 . . . . 0.0 109.784 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -47.12 -27.66 6.61 Favored 'Trans proline' 0 C--N 1.391 2.811 0 C-N-CA 123.973 3.115 . . . . 0.0 114.748 -176.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -156.31 179.59 9.09 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.498 0.666 . . . . 0.0 111.033 175.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 33' ' ' TYR . 28.6 tp -87.15 36.48 0.73 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.854 1.262 . . . . 0.0 110.06 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 3.4 mm? -130.42 -52.53 1.09 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -174.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.1 p -64.28 -29.97 71.04 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.328 170.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.0 -34.5 78.24 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.602 0.761 . . . . 0.0 110.457 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 m -72.09 -36.57 69.54 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.716 0.806 . . . . 0.0 110.879 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 20.5 mm-40 -60.28 -34.93 74.44 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.321 172.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -71.46 -34.11 69.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.184 0.593 . . . . 0.0 111.826 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.52 -39.05 86.38 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.404 0.682 . . . . 0.0 111.607 -173.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.12 -29.66 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.4 p -81.25 21.93 0.71 Allowed 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m80 . . . . . 0 C--O 1.251 1.144 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 165.936 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.1 tttt . . . . . 0 CA--C 1.513 -0.46 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 43.7 t -81.42 89.07 6.1 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.601 0.36 . . . . 0.0 110.354 -175.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -55.27 -31.81 61.86 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -54.36 -56.29 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 123.988 0.915 . . . . 0.0 111.798 -173.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.53 -26.87 14.28 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.253 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 m 91.54 17.76 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 126.896 2.078 . . . . 0.0 112.33 172.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 6' ' ' CYS . 61.0 mmt-85 -102.35 174.27 5.99 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.556 0.743 . . . . 0.0 111.558 176.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -137.69 165.91 25.23 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.725 0.774 . . . . 0.0 112.737 -171.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -79.03 -174.72 4.2 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.494 1.518 . . . . 0.0 113.454 -175.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -120.52 -53.45 2.11 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 175.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -118.19 163.37 16.75 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.884 1.274 . . . . 0.0 109.223 170.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.73 -43.18 80.39 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -168.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -70.41 -18.25 63.02 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.152 0.581 . . . . 0.0 111.067 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.1 -45.69 95.54 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.441 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -43.04 91.38 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 30.1 mmm180 -58.25 -53.61 56.29 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 124.526 1.141 . . . . 0.0 111.396 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -56.35 -48.92 75.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.409 1.084 . . . . 0.0 110.835 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -59.89 -33.77 72.28 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.961 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 tp -74.16 -32.44 63.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 111.508 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 20' ' ' ARG . 94.7 mt-30 -78.81 -38.29 38.61 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.252 0.621 . . . . 0.0 110.152 -178.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.9 p -79.4 -3.49 46.63 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.952 0.901 . . . . 0.0 111.875 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 121.018 0.437 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 35.9 ttm -97.5 144.96 26.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.184 1.394 . . . . 0.0 108.295 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.631 ' HA ' HD21 ' A' ' 48' ' ' LEU . 31.7 t -66.22 138.58 96.07 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -65.62 -50.4 1.84 Allowed 'Trans proline' 0 C--N 1.372 1.809 0 C-N-CA 122.651 2.234 . . . . 0.0 112.96 172.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.2 mt -78.01 -54.96 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -164.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.9 p -107.14 -40.61 5.38 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 118.046 0.385 . . . . 0.0 110.909 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 35' ' ' CYS . . . 99.32 39.74 3.41 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 116.922 1.529 . . . . 0.0 116.922 156.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.8 152.76 22.77 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 117.518 0.659 . . . . 0.0 110.469 166.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -88.05 139.7 30.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.904 0.881 . . . . 0.0 111.337 -172.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -123.17 151.71 62.48 Favored Pre-proline 0 N--CA 1.474 0.775 0 C-N-CA 123.876 0.87 . . . . 0.0 109.445 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.12 -41.22 76.62 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 123.067 2.512 . . . . 0.0 113.103 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.9 m -153.44 175.08 13.56 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.019 0.528 . . . . 0.0 110.339 -169.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.4 tp -85.68 56.98 4.21 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.008 0.923 . . . . 0.0 110.541 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -136.86 -56.07 0.73 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.4 p -68.99 -33.98 74.55 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.108 0.963 . . . . 0.0 111.206 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 35' ' ' CYS . 2.8 tm? -62.8 -44.33 96.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.155 0.582 . . . . 0.0 110.423 174.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.9 m -65.91 -41.82 90.97 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.462 0.705 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.63 -46.51 84.04 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.519 0.728 . . . . 0.0 110.384 175.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -66.67 -41.14 88.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.796 0.839 . . . . 0.0 111.974 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.47 -43.17 99.47 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.083 0.953 . . . . 0.0 112.209 -172.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.434 HG23 HG23 ' A' ' 54' ' ' THR . 29.8 m -77.98 -32.31 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 122.892 0.477 . . . . 0.0 111.921 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 53' ' ' VAL . 70.5 p -94.5 35.35 1.22 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.955 0.902 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 . . . . . 0 CA--C 1.558 1.253 0 C-N-CA 122.797 0.439 . . . . 0.0 110.499 -165.62 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.7 t -83.82 109.78 17.82 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 167.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -35.09 79.53 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.399 0.68 . . . . 0.0 110.779 -177.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.56 -43.75 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.804 0.842 . . . . 0.0 111.562 -177.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.2 m -87.23 -31.27 20.38 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.65 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m 77.65 10.7 2.22 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 126.693 1.997 . . . . 0.0 111.157 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -110.73 -174.57 2.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.052 0.941 . . . . 0.0 110.37 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 t -140.81 170.41 15.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.586 0.755 . . . . 0.0 110.105 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.476 ' HD1' ' H ' ' A' ' 15' ' ' SER . 5.5 t80 -113.74 150.85 32.77 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.969 0.908 . . . . 0.0 109.126 175.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.58 -35.58 74.57 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.007 0.923 . . . . 0.0 111.677 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.476 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 36.1 p -105.81 137.24 44.01 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 172.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.99 -28.03 60.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.41 0.284 . . . . 0.0 110.51 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -75.55 -35.47 60.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.237 0.615 . . . . 0.0 109.435 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.54 -32.33 83.86 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.051 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.01 -43.9 90.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.995 0.918 . . . . 0.0 110.313 172.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.456 ' HD2' HD12 ' A' ' 23' ' ' LEU . 22.3 mmm180 -61.84 -34.79 76.6 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.881 0.872 . . . . 0.0 112.352 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -72.18 -38.69 69.05 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.614 0.721 . . . . 0.0 109.971 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -67.05 -30.32 70.36 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.761 1.224 . . . . 0.0 110.595 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD12 ' HD2' ' A' ' 20' ' ' ARG . 16.3 mt -61.35 -27.3 68.41 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.984 0.914 . . . . 0.0 112.415 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -77.94 -13.91 59.72 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.214 1.006 . . . . 0.0 111.583 -173.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.0 p -76.26 -4.24 40.9 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 123.378 0.671 . . . . 0.0 111.274 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 . . . . . 0 N--CA 1.484 1.272 0 C-N-CA 123.5 0.72 . . . . 0.0 111.166 177.465 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--O 1.238 0.475 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.6 ttp -93.08 113.57 25.87 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.426 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 19.6 t -59.8 127.47 85.32 Favored Pre-proline 0 CA--C 1.55 0.976 0 O-C-N 123.629 0.581 . . . . 0.0 111.558 -173.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -47.96 -48.36 16.5 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.65 2.9 . . . . 0.0 114.607 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.5 mt -84.7 -54.99 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.437 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 12.2 p -109.32 -7.16 15.28 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -166.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.426 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 61.51 25.09 64.71 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 116.332 1.293 . . . . 0.0 116.332 173.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 15.0 mm-40 -68.88 149.73 48.57 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.696 0.799 . . . . 0.0 111.368 169.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -93.4 124.62 37.51 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.917 0.887 . . . . 0.0 109.557 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -123.28 139.9 32.71 Favored Pre-proline 0 N--CA 1.481 1.11 0 C-N-CA 123.219 0.608 . . . . 0.0 109.793 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -67.1 -4.02 10.81 Favored 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 123.957 3.104 . . . . 0.0 114.168 -171.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 p -153.44 164.48 38.11 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.9 0.857 . . . . 0.0 111.108 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.79 42.75 1.1 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.035 -1.438 . . . . 0.0 109.445 170.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -145.03 -51.29 0.27 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 -170.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.9 p -62.34 -38.87 91.17 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.722 167.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.7 -37.36 86.23 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 123.689 0.618 . . . . 0.0 109.952 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.7 m -64.29 -41.25 96.97 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.403 0.681 . . . . 0.0 110.907 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' HG22 ' A' ' 54' ' ' THR . 41.2 mt-10 -64.75 -42.93 94.78 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.873 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -65.41 -44.56 87.06 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.433 1.093 . . . . 0.0 112.572 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -66.21 -33.89 76.77 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.39 0.676 . . . . 0.0 112.398 -171.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.82 -30.45 21.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 122.595 0.358 . . . . 0.0 111.816 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 50' ' ' GLU . 15.2 t -102.72 34.54 2.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.105 0.962 . . . . 0.0 110.555 -178.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 . . . . . 0 CA--C 1.557 1.24 0 C-N-CA 123.126 0.57 . . . . 0.0 111.135 -162.887 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 t -87.33 86.69 7.28 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 170.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -11.22 -64.91 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 127.391 2.276 . . . . 0.0 115.982 -177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.1 t -64.37 -54.21 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.081 0.953 . . . . 0.0 111.312 -175.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.4 m -58.3 -43.1 87.92 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.792 0.837 . . . . 0.0 111.803 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 m 67.71 15.41 9.68 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.367 1.467 . . . . 0.0 111.232 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -117.09 176.75 4.99 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.936 1.295 . . . . 0.0 108.894 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -133.17 154.25 50.8 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.967 0.907 . . . . 0.0 110.447 -172.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -100.83 149.26 24.03 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.707 1.203 . . . . 0.0 109.216 172.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -53.57 -24.77 14.64 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.834 0.854 . . . . 0.0 112.657 174.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.1 t -109.58 135.74 50.08 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 166.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -79.47 -29.95 41.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.207 0.603 . . . . 0.0 110.276 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.87 -36.73 75.71 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.02 -29.92 62.02 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.258 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.12 -50.37 61.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.161 0.984 . . . . 0.0 110.618 172.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -58.73 -42.52 88.94 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.721 0.809 . . . . 0.0 111.701 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HA ' HE21 ' A' ' 24' ' ' GLN . 43.1 tt0 -60.19 -42.62 95.44 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.614 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -67.29 -38.34 84.88 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.515 1.126 . . . . 0.0 111.597 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.05 -35.32 76.6 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.971 0.908 . . . . 0.0 111.082 -171.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.461 HE21 ' HA ' ' A' ' 21' ' ' GLU . 39.8 mt-30 -69.22 -18.75 63.93 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.627 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 p -73.64 -8.67 56.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.061 0.545 . . . . 0.0 112.018 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 121.148 0.499 . . . . 0.0 110.419 177.804 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.941 0.4 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.2 ttt -94.54 141.18 28.89 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' HD21 ' A' ' 48' ' ' LEU . 33.9 t -66.92 139.4 95.6 Favored Pre-proline 0 CA--C 1.552 1.031 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.55 -43.2 2.11 Favored 'Trans proline' 0 C--N 1.37 1.658 0 C-N-CA 122.099 1.866 . . . . 0.0 112.906 173.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 mt -78.39 -53.34 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -166.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.5 p -111.17 -39.62 4.69 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 118.148 0.431 . . . . 0.0 111.435 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.64 40.72 3.8 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 116.21 1.244 . . . . 0.0 116.21 158.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.54 160.13 17.6 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 117.479 0.639 . . . . 0.0 110.071 164.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -81.22 143.87 32.0 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.116 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -130.75 148.4 70.0 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.24 1.016 . . . . 0.0 110.134 172.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.26 -22.25 53.63 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.941 2.428 . . . . 0.0 113.226 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.5 p -162.44 168.26 22.31 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -172.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -86.78 57.27 4.41 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 122.704 1.24 . . . . 0.0 108.992 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -146.26 -51.05 0.22 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 105.52 -2.029 . . . . 0.0 105.52 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.0 p -72.57 -38.69 67.84 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.062 173.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 35' ' ' CYS . 3.2 tm? -61.53 -34.67 75.94 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.54 0.736 . . . . 0.0 110.207 170.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.5 m -63.98 -46.96 82.29 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.909 0.884 . . . . 0.0 111.346 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.12 -34.54 78.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.352 0.661 . . . . 0.0 110.59 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.27 -46.38 80.7 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.391 1.076 . . . . 0.0 111.142 173.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.79 -44.92 95.92 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.973 1.309 . . . . 0.0 113.527 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.51 -21.64 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -169.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.1 p -120.7 -57.54 1.89 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.227 0.611 . . . . 0.0 110.428 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 CA--C 1.559 1.315 0 C-N-CA 126.056 1.742 . . . . 0.0 112.255 178.245 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.32 -139.36 5.97 Favored Glycine 0 C--N 1.347 1.193 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -153.18 102.67 2.65 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.587 0.755 . . . . 0.0 109.427 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.46 ' HD2' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -59.54 96.8 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.155 170.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 10' ' ' SER . 38.6 ttpt -123.24 151.99 41.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.427 0.691 . . . . 0.0 110.166 -167.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.1 t -60.71 -39.98 90.55 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -172.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.14 -49.63 0.54 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 126.144 1.778 . . . . 0.0 110.795 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -59.75 -53.48 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 123.8 0.84 . . . . 0.0 109.674 174.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.1 -50.31 9.79 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 171.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.404 ' O ' ' HD2' ' A' ' 5' ' ' LYS . 34.5 t 70.3 -0.97 2.64 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.215 1.406 . . . . 0.0 112.356 -174.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -116.13 5.18 13.73 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -172.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -151.15 141.8 22.69 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -170.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.515 ' HB3' HD23 ' A' ' 19' ' ' LEU . 14.5 p90 -169.26 144.48 3.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 128.146 2.578 . . . . 0.0 107.275 162.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -82.43 -32.24 29.1 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.6 p -172.06 -171.09 0.82 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.697 1.599 . . . . 0.0 107.755 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -67.6 -42.67 82.07 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.924 0.784 . . . . 0.0 108.891 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -69.95 -36.73 75.5 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.705 0.802 . . . . 0.0 109.475 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.32 -46.17 93.28 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 113.944 -1.48 . . . . 0.0 112.204 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 13' ' ' PHE . 1.3 tm? -65.61 -39.76 91.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.796 0.838 . . . . 0.0 112.343 176.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -56.41 -50.54 71.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.425 0.69 . . . . 0.0 110.816 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.58 -44.05 96.65 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.731 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -68.67 -26.78 65.48 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.089 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.6 tp -62.33 -34.34 76.46 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 122.104 -0.373 . . . . 0.0 111.06 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -75.58 -15.01 60.41 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.93 0.892 . . . . 0.0 112.768 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 p -64.22 -15.84 60.81 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.212 0.605 . . . . 0.0 111.905 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -98.36 -11.46 22.47 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.177 0.591 . . . . 0.0 111.192 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 -65.01 -43.64 91.83 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 162.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.05 172.88 30.16 Favored Glycine 0 C--N 1.344 1.01 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.685 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.65 122.52 8.95 Favored 'Trans proline' 0 C--N 1.368 1.589 0 C-N-CA 122.442 2.095 . . . . 0.0 110.801 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.21 81.86 1.0 Allowed 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.677 0.751 . . . . 0.0 112.812 -174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -114.57 53.65 0.8 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 169.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -171.67 168.16 6.32 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 113.963 -1.471 . . . . 0.0 108.666 -173.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -142.26 148.14 37.6 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 43.8 ttm -103.86 137.64 41.58 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.545 ' HA ' HD11 ' A' ' 48' ' ' LEU . 42.1 t -65.97 138.07 96.17 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 123.277 0.631 . . . . 0.0 112.55 -171.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' HD11 ' A' ' 48' ' ' LEU . 33.1 Cg_exo -62.85 -45.53 13.07 Favored 'Trans proline' 0 C--N 1.372 1.778 0 C-N-CA 122.519 2.146 . . . . 0.0 112.07 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.68 -54.37 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -170.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 p -118.36 0.04 11.58 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.523 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 68.14 16.13 68.41 Favored Glycine 0 N--CA 1.477 1.397 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -65.07 143.75 57.71 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 117.344 0.572 . . . . 0.0 110.67 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.56 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -111.47 131.77 54.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.616 0.766 . . . . 0.0 109.814 -170.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -130.04 152.66 80.4 Favored Pre-proline 0 N--CA 1.474 0.725 0 C-N-CA 123.924 0.89 . . . . 0.0 109.631 -176.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.72 3.93 2.03 Favored 'Trans proline' 0 C--N 1.38 2.197 0 C-N-CA 123.372 2.715 . . . . 0.0 115.603 -170.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.0 p -161.71 169.37 21.62 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.548 0.689 . . . . 0.0 111.715 173.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -88.41 62.92 6.85 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 167.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -162.18 -55.22 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.6 p -62.65 -40.36 96.79 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.573 168.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.545 HD11 ' HA ' ' A' ' 35' ' ' CYS . 2.0 tm? -63.32 -39.06 93.51 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.588 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 m -66.79 -40.58 88.17 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.417 0.687 . . . . 0.0 111.338 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.6 -44.51 93.8 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.605 0.762 . . . . 0.0 110.795 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -59.8 -39.57 85.4 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.777 0.831 . . . . 0.0 111.251 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -62.61 -50.68 70.28 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.189 0.996 . . . . 0.0 110.503 -174.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.41 -40.36 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -172.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.8 p -90.71 13.8 15.15 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.15 0.58 . . . . 0.0 111.615 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER . . . . . 0 CA--C 1.564 1.486 0 C-N-CA 125.918 1.687 . . . . 0.0 113.905 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.35 89.18 0.55 Allowed Glycine 0 C--N 1.342 0.889 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 m -158.55 106.43 1.9 Allowed 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -98.75 161.81 13.45 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -103.68 128.48 51.01 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.223 0.609 . . . . 0.0 110.119 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.2 t -75.07 117.57 17.06 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.63 -29.09 66.5 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 122.785 0.434 . . . . 0.0 111.514 -172.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.77 -49.48 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.32 0.648 . . . . 0.0 110.891 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.0 m -87.18 -26.88 23.34 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.04 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m 73.77 16.61 3.76 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.775 1.63 . . . . 0.0 111.559 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -110.55 177.95 4.53 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.178 0.991 . . . . 0.0 110.14 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -130.06 152.69 49.23 Favored 'General case' 0 C--O 1.243 0.734 0 C-N-CA 123.551 0.74 . . . . 0.0 109.963 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' HD1' ' H ' ' A' ' 15' ' ' SER . 13.6 t80 -110.14 142.12 42.09 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 171.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -65.62 -6.94 12.61 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.556 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 78.0 p -129.66 147.18 51.43 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 123.885 0.874 . . . . 0.0 109.826 170.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -55.43 -53.64 53.75 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.908 0.483 . . . . 0.0 109.855 168.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -61.06 -29.65 69.86 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.778 0.831 . . . . 0.0 111.789 -174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.38 -43.85 23.74 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.38 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.16 -48.83 74.47 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.078 0.551 . . . . 0.0 110.726 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -55.96 -35.3 66.55 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.97 0.908 . . . . 0.0 111.951 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -69.08 -40.8 78.22 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.051 0.94 . . . . 0.0 110.71 174.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -67.06 -41.58 86.2 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.793 1.237 . . . . 0.0 111.786 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.29 -31.46 69.14 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.382 1.473 . . . . 0.0 111.106 -176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -60.15 -18.43 47.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.558 1.143 . . . . 0.0 113.631 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -79.7 -26.47 40.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.448 0.699 . . . . 0.0 110.401 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -80.15 -9.34 59.71 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.624 0.77 . . . . 0.0 110.227 175.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -98.13 11.34 38.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.846 0.858 . . . . 0.0 109.71 175.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.73 -161.92 51.6 Favored Glycine 0 C--N 1.352 1.438 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.182 -176.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -70.9 129.11 15.88 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.119 1.88 . . . . 0.0 110.299 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.88 56.91 4.18 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.722 0.772 . . . . 0.0 110.99 -175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HE3' ' HG2' ' A' ' 41' ' ' ARG . 24.8 pttm -160.09 168.91 24.47 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.192 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -142.15 42.33 1.66 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -140.43 84.67 1.97 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 123.087 1.422 . . . . 0.0 107.977 176.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 55.9 ttp -131.18 122.04 25.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 113.632 -1.622 . . . . 0.0 106.743 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 42.7 t -75.16 122.72 87.98 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-O 119.227 -0.416 . . . . 0.0 109.912 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.48 -36.92 98.04 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.937 2.425 . . . . 0.0 113.965 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.5 mt -83.87 -55.8 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.438 ' SG ' ' HG3' ' A' ' 40' ' ' GLU . 10.2 p -120.18 -0.01 10.58 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -168.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.482 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 61.89 24.51 64.76 Favored Glycine 0 N--CA 1.475 1.269 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 169.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG3' ' SG ' ' A' ' 38' ' ' CYS . 39.8 mt-10 -65.01 135.23 55.38 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 120.872 0.368 . . . . 0.0 111.983 171.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HG2' ' HE3' ' A' ' 31' ' ' LYS . 33.8 mtp180 -95.16 137.57 34.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.726 1.21 . . . . 0.0 109.902 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.409 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 89.1 m-85 -124.44 157.78 63.84 Favored Pre-proline 0 N--CA 1.48 1.043 0 C-N-CA 123.457 0.703 . . . . 0.0 111.283 -175.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -63.63 -14.52 43.18 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.565 2.177 . . . . 0.0 112.96 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.5 p -152.05 172.66 15.95 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 123.604 0.762 . . . . 0.0 111.215 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 tp -95.57 54.33 1.56 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 166.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -137.25 -54.77 0.7 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 42' ' ' PHE . 1.2 p -61.0 -36.06 78.49 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 114.304 -1.316 . . . . 0.0 111.699 171.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.73 -37.48 84.75 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.304 0.642 . . . . 0.0 110.684 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 m -66.52 -47.07 74.11 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.502 0.721 . . . . 0.0 110.564 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -59.72 -47.9 83.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.027 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -63.27 -36.7 84.52 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.044 0.938 . . . . 0.0 111.979 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -61.41 -49.96 74.78 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.008 0.923 . . . . 0.0 110.318 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.532 HG23 HG23 ' A' ' 54' ' ' THR . 30.0 m -78.27 -39.63 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.532 HG23 HG23 ' A' ' 53' ' ' VAL . 70.5 p -90.15 36.12 0.87 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.894 0.878 . . . . 0.0 111.051 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 . . . . . 0 CA--C 1.552 1.057 0 C-N-CA 123.262 0.625 . . . . 0.0 110.393 -161.698 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.029 0.442 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.44 86.29 0.14 Allowed Glycine 0 C--N 1.337 0.638 0 N-CA-C 108.92 -1.672 . . . . 0.0 108.92 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -85.72 97.38 10.11 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.985 0.898 . . . . 0.0 110.736 -163.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.543 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 31.8 t-80 -51.29 130.54 27.03 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 112.909 -1.951 . . . . 0.0 109.49 159.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -89.01 154.56 20.11 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.445 0.698 . . . . 0.0 111.332 -170.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.464 ' HB2' HD21 ' A' ' 19' ' ' LEU . 42.4 t -96.35 107.64 20.04 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 170.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -53.68 -46.96 70.83 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.828 0.851 . . . . 0.0 112.633 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.79 -58.18 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.585 0.754 . . . . 0.0 112.132 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.5 m -66.04 -35.32 80.22 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.055 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 p 82.42 -11.37 1.01 Allowed 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 127.824 2.449 . . . . 0.0 110.684 -168.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -92.32 -175.49 4.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.615 1.166 . . . . 0.0 110.04 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 t -151.31 160.26 43.88 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.111 0.564 . . . . 0.0 110.853 -176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.714 ' HD1' ' H ' ' A' ' 15' ' ' SER . 5.3 t80 -93.74 151.51 19.58 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -69.75 -27.49 64.99 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.142 0.577 . . . . 0.0 111.578 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.714 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 30.5 t -99.85 150.95 21.84 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.999 1.32 . . . . 0.0 109.585 172.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -37.27 56.52 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.238 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -75.11 -42.23 56.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.74 0.816 . . . . 0.0 109.357 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.58 -37.63 33.92 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 114.943 -1.026 . . . . 0.0 114.241 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 4' ' ' HIS . 2.0 tm? -68.53 -38.59 80.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.603 0.761 . . . . 0.0 110.577 176.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -60.32 -41.08 92.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.63 0.581 . . . . 0.0 111.478 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -68.98 -42.17 76.93 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.225 0.536 . . . . 0.0 110.761 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.09 -27.09 66.71 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.549 1.139 . . . . 0.0 111.888 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -67.98 -20.95 65.09 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.824 0.85 . . . . 0.0 111.231 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -72.24 -20.9 61.47 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.564 0.745 . . . . 0.0 112.081 -176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.9 p -72.51 -8.05 53.12 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.552 0.741 . . . . 0.0 112.022 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -120.31 8.8 10.89 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.367 0.667 . . . . 0.0 112.051 -173.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -56.26 -44.28 79.55 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.825 0.45 . . . . 0.0 111.331 175.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.47 177.96 48.53 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.619 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -69.42 146.36 62.07 Favored 'Trans proline' 0 C--N 1.366 1.463 0 C-N-CA 122.789 2.326 . . . . 0.0 111.206 172.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.39 86.79 2.38 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 123.695 0.798 . . . . 0.0 108.878 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -158.32 36.34 0.24 Allowed 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.406 0.622 . . . . 0.0 110.994 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -97.42 38.98 1.22 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.459 0.703 . . . . 0.0 109.627 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -82.41 110.86 17.92 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.098 0.559 . . . . 0.0 110.223 -170.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.3 ttm -119.84 142.17 48.87 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.899 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' N ' HD21 ' A' ' 48' ' ' LEU . 7.9 t -59.47 131.22 88.03 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 124.65 1.18 . . . . 0.0 112.731 -176.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -60.47 -43.22 34.91 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 123.085 2.523 . . . . 0.0 113.658 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.93 -53.85 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 30.3 p -125.31 10.07 7.97 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -173.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.86 41.03 97.53 Favored Glycine 0 N--CA 1.478 1.458 0 N-CA-C 119.026 2.37 . . . . 0.0 119.026 161.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 20.1 mp0 -72.46 130.16 40.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.584 0.754 . . . . 0.0 109.65 162.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -90.2 129.19 36.49 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.324 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -122.7 151.62 60.72 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 123.913 0.885 . . . . 0.0 110.137 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.36 -14.73 45.42 Favored 'Trans proline' 0 C--N 1.382 2.3 0 C-N-CA 123.382 2.722 . . . . 0.0 113.804 -176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 p -151.58 164.0 37.83 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.518 0.675 . . . . 0.0 111.717 -176.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.27 57.46 4.04 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 85.3 mt -146.63 -55.95 0.26 Allowed 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.9 p -71.25 -37.92 71.94 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 113.802 -1.544 . . . . 0.0 111.544 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 35' ' ' CYS . 3.0 tm? -61.79 -43.81 98.12 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.552 0.741 . . . . 0.0 110.024 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.0 m -63.23 -41.69 99.14 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 124.105 0.878 . . . . 0.0 111.426 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 46.9 mt-10 -58.15 -42.54 86.12 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.559 0.744 . . . . 0.0 111.208 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -64.82 -42.03 95.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.723 0.64 . . . . 0.0 111.136 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 39.6 ttpt -67.71 -37.63 82.52 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.405 -173.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.9 m -76.85 -28.48 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 122.461 0.304 . . . . 0.0 111.663 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.8 p -87.98 12.97 11.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.143 0.577 . . . . 0.0 112.183 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.56 1.331 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.243 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.806 0.336 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.13 127.53 3.14 Favored Glycine 0 C--N 1.347 1.153 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 m -122.38 98.16 5.8 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.902 0.858 . . . . 0.0 109.784 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -92.06 71.67 5.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.203 166.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -129.07 134.47 48.11 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.045 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.88 97.59 1.44 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -56.34 -36.99 69.37 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.236 1.014 . . . . 0.0 112.499 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.44 -47.7 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.705 0.802 . . . . 0.0 111.293 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.9 m -85.67 -33.4 21.58 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.291 0.636 . . . . 0.0 111.602 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t 77.44 11.62 2.18 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 126.694 1.998 . . . . 0.0 111.579 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.2 149.91 22.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.144 0.977 . . . . 0.0 110.251 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -93.87 155.52 17.14 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.645 0.736 . . . . 0.0 111.658 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -81.61 -175.12 5.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.561 169.292 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -125.93 -52.17 1.55 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 171.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.8 p -116.3 153.56 31.73 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 125.037 1.335 . . . . 0.0 108.123 171.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.25 -33.82 76.61 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.659 0.384 . . . . 0.0 111.322 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -73.51 -26.13 60.75 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.13 -38.99 96.74 Favored Glycine 0 C--N 1.353 1.512 0 O-C-N 123.91 0.756 . . . . 0.0 112.244 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.08 -48.8 78.56 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.965 0.506 . . . . 0.0 109.805 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -60.92 -31.24 70.77 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.224 0.952 . . . . 0.0 112.309 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -67.38 -48.95 65.89 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.047 0.939 . . . . 0.0 109.269 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -68.56 -28.36 66.89 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.084 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.45 -33.91 70.26 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.863 1.265 . . . . 0.0 112.285 -173.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -74.91 -19.25 60.21 Favored 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 114.982 -1.008 . . . . 0.0 113.538 -169.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.1 p -76.86 -9.4 58.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.05 0.54 . . . . 0.0 112.182 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -99.98 4.37 44.82 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.079 0.552 . . . . 0.0 110.74 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -138.06 16.28 2.83 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.644 0.778 . . . . 0.0 110.247 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.95 148.55 24.62 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-O 119.029 -0.873 . . . . 0.0 111.574 173.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -58.16 122.79 12.3 Favored 'Trans proline' 0 C--N 1.369 1.648 0 C-N-CA 123.111 2.541 . . . . 0.0 111.912 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.51 76.5 1.34 Allowed 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.791 0.836 . . . . 0.0 109.306 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -98.16 148.09 23.92 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.216 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -93.28 126.06 38.2 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 170.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -143.95 82.16 1.71 Allowed 'General case' 0 C--O 1.242 0.702 0 CA-C-O 122.597 1.189 . . . . 0.0 107.831 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.5 ttt -134.11 134.55 42.38 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 113.721 -1.581 . . . . 0.0 107.456 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 40' ' ' GLU . 10.0 t -60.42 132.48 90.73 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.744 0.818 . . . . 0.0 112.118 -176.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -66.2 -39.45 18.0 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.564 2.176 . . . . 0.0 112.965 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.8 mt -80.75 -52.61 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.427 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 28.0 p -128.82 8.47 5.75 Favored 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.61 39.72 97.88 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 118.616 2.206 . . . . 0.0 118.616 162.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 19.0 mp0 -70.89 125.06 25.81 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.513 0.725 . . . . 0.0 110.54 166.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.0 140.59 29.4 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 168.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -118.36 175.93 1.88 Allowed Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 123.328 0.651 . . . . 0.0 111.826 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.98 -39.87 47.42 Favored 'Trans proline' 0 C--N 1.392 2.852 0 C-N-CA 122.608 2.205 . . . . 0.0 112.96 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.6 m -155.15 176.49 12.48 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.656 0.782 . . . . 0.0 110.442 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 tp -85.99 76.15 9.87 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 123.703 0.801 . . . . 0.0 109.96 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -156.71 -53.36 0.08 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.4 p -67.74 -25.49 65.66 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.643 174.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.91 -41.05 87.76 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.778 0.674 . . . . 0.0 110.257 172.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.6 m -65.51 -42.63 91.85 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.115 0.966 . . . . 0.0 110.541 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -62.83 -42.15 99.62 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.849 -1.068 . . . . 0.0 111.228 176.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -62.5 -34.76 77.52 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.108 0.563 . . . . 0.0 111.593 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -67.12 -42.29 84.75 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 123.865 0.728 . . . . 0.0 111.624 -177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.19 -36.18 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.03 0 C-N-CA 123.015 0.526 . . . . 0.0 112.006 -175.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.5 p -97.95 38.48 1.3 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.942 0.897 . . . . 0.0 110.895 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 CA--C 1.559 1.298 0 C-N-CA 122.71 0.404 . . . . 0.0 111.457 -165.19 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.1 44.53 60.33 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 123.451 0.469 . . . . 0.0 112.266 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -110.33 97.32 6.81 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -109.42 70.09 0.72 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.094 170.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 142.26 33.56 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 162.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.83 103.88 10.97 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -42.45 -54.29 3.92 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.943 1.697 . . . . 0.0 113.665 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.11 -45.77 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 124.106 0.879 . . . . 0.0 111.448 -173.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.4 m -81.85 -34.23 30.25 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.354 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p 76.6 2.13 3.38 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 128.712 2.805 . . . . 0.0 112.957 -170.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -84.1 149.84 25.95 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.956 0.902 . . . . 0.0 110.599 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 t -91.54 162.03 14.7 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.751 0.82 . . . . 0.0 112.25 -174.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -178.83 6.89 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.255 169.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -135.56 -42.65 0.69 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 166.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -110.84 139.2 46.36 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.745 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.3 -36.83 79.92 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.226 0.61 . . . . 0.0 111.748 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -74.23 -25.73 59.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.332 0.653 . . . . 0.0 110.372 176.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.03 -40.72 98.45 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 124.004 0.815 . . . . 0.0 113.21 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.59 -46.82 87.82 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.338 0.59 . . . . 0.0 109.924 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -68.25 -30.85 69.98 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.609 -175.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -71.78 -46.19 59.15 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.062 0.945 . . . . 0.0 109.859 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -62.3 -27.05 68.77 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.195 -1.366 . . . . 0.0 111.602 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 tp -59.24 -20.25 52.52 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 123.705 0.802 . . . . 0.0 113.159 -174.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -76.57 -22.66 53.99 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.016 0.927 . . . . 0.0 112.124 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 p -61.73 -23.73 66.34 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.446 1.099 . . . . 0.0 113.936 -168.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.34 -3.63 8.92 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.348 0.659 . . . . 0.0 111.485 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -90.8 -26.96 19.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.653 0.264 . . . . 0.0 110.941 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.2 174.1 13.69 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-O 119.51 -0.606 . . . . 0.0 111.942 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.87 142.58 12.65 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 122.421 2.081 . . . . 0.0 112.725 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.67 -15.85 43.93 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.89 0.876 . . . . 0.0 111.11 177.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 43' ' ' PRO . 33.7 mtmt -116.88 109.36 16.97 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.8 23.13 5.78 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.765 0.793 . . . . 0.0 110.028 -173.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -98.39 91.07 5.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.332 0.586 . . . . 0.0 109.476 -172.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.4 ttp -97.52 141.86 30.06 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.645 1.178 . . . . 0.0 109.374 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.402 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 2.8 t -62.42 133.22 94.5 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 123.925 0.89 . . . . 0.0 111.544 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.1 -44.12 47.0 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 123.014 2.476 . . . . 0.0 113.543 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.7 mt -89.73 -54.86 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.21 0 N-CA-C 113.061 0.764 . . . . 0.0 113.061 -168.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.475 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 19.0 p -120.92 9.32 10.6 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.41 34.94 91.31 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 118.307 2.083 . . . . 0.0 118.307 163.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 20.7 mp0 -70.16 126.01 28.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.228 1.011 . . . . 0.0 110.305 164.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' H ' ' HD2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -88.61 132.55 34.5 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 174.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -124.22 154.84 68.73 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 123.867 0.867 . . . . 0.0 110.565 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HA ' ' HD2' ' A' ' 31' ' ' LYS . 39.5 Cg_endo -63.01 -22.59 73.82 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 123.136 2.557 . . . . 0.0 114.631 -175.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.7 p -149.06 165.5 31.51 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.362 0.601 . . . . 0.0 111.697 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tt -88.85 60.12 5.36 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 172.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 3.9 tt -158.22 -54.71 0.07 Allowed 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 p -63.2 -43.02 99.35 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 123.975 0.797 . . . . 0.0 110.818 171.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.5 -36.82 83.74 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.265 0.626 . . . . 0.0 109.901 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -65.64 -41.59 92.44 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.962 0.789 . . . . 0.0 111.361 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 16.7 mm-40 -58.23 -43.15 87.63 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.386 0.674 . . . . 0.0 110.85 176.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -68.89 -34.57 75.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.25 0.62 . . . . 0.0 110.895 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.55 -43.78 68.81 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.992 0.917 . . . . 0.0 111.909 -176.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.493 HG23 HG23 ' A' ' 54' ' ' THR . 34.6 m -78.19 -42.77 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 123.124 0.569 . . . . 0.0 112.177 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.493 HG23 HG23 ' A' ' 53' ' ' VAL . 74.8 p -97.96 29.4 3.47 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.278 0.631 . . . . 0.0 110.317 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 CA--C 1.556 1.2 0 C-N-CA 124.477 1.111 . . . . 0.0 112.11 176.679 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.854 0.359 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 122.71 -145.7 16.4 Favored Glycine 0 C--N 1.347 1.148 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 m -152.29 103.43 2.85 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.124 0.57 . . . . 0.0 109.699 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -68.78 76.75 0.3 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 159.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -130.47 144.45 51.41 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 125.483 1.513 . . . . 0.0 106.969 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.5 104.05 0.11 Allowed 'General case' 0 C--O 1.21 -0.987 0 C-N-CA 124.322 1.049 . . . . 0.0 112.307 -169.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -58.42 -21.51 51.06 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -75.92 -58.21 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 C-N-CA 123.399 0.68 . . . . 0.0 110.801 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.4 m -89.6 -51.27 5.61 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 122.993 0.517 . . . . 0.0 111.219 -175.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 m 78.27 8.89 2.22 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.482 1.913 . . . . 0.0 112.424 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -59.61 -54.05 50.91 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -178.09 179.15 0.86 Allowed 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.525 0.679 . . . . 0.0 112.482 -160.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -168.35 152.7 6.1 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.841 2.056 . . . . 0.0 106.92 168.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -83.98 -52.01 6.67 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 t -149.71 -171.78 3.98 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-N 113.556 -1.656 . . . . 0.0 107.066 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.67 -35.91 81.18 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 118.488 0.585 . . . . 0.0 109.703 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -72.54 -33.68 67.0 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.753 0.821 . . . . 0.0 109.491 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.37 -46.35 91.92 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.998 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.86 -40.75 97.28 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.106 0.562 . . . . 0.0 111.68 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -58.12 -40.95 82.54 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.064 0.546 . . . . 0.0 111.71 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.85 -45.06 94.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.702 0.801 . . . . 0.0 109.584 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -65.37 -34.27 77.92 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.286 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.8 -22.09 63.79 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.205 1.002 . . . . 0.0 112.044 -171.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -64.57 -13.96 55.4 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.762 1.225 . . . . 0.0 113.441 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.1 p -71.45 -14.01 62.01 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.076 0.55 . . . . 0.0 110.443 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -119.47 19.12 12.75 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.334 1.054 . . . . 0.0 110.387 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -72.05 -25.09 61.65 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.559 0.344 . . . . 0.0 110.833 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.65 170.86 48.14 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.069 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -65.94 144.45 76.66 Favored 'Trans proline' 0 C--N 1.368 1.6 0 C-N-CA 122.782 2.321 . . . . 0.0 111.667 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.25 26.8 2.09 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.817 0.847 . . . . 0.0 110.104 176.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -92.44 121.61 34.08 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 124.368 1.067 . . . . 0.0 109.512 -170.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -174.31 141.98 0.76 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.241 1.016 . . . . 0.0 108.907 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.431 ' HD2' ' HG ' ' A' ' 48' ' ' LEU . 3.6 t80 -134.82 147.17 49.87 Favored 'General case' 0 C--O 1.243 0.717 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 169.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 54.9 ttp -106.39 129.65 54.35 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.041 1.336 . . . . 0.0 107.459 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.493 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 36.4 t -61.77 129.06 91.25 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 122.305 0.242 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.36 -28.48 71.79 Favored 'Trans proline' 0 C--N 1.367 1.533 0 C-N-CA 122.429 2.086 . . . . 0.0 112.797 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.6 mt -94.62 -51.41 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.5 p -131.24 15.48 5.08 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.493 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 43.54 36.92 3.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 120.491 2.957 . . . . 0.0 120.491 161.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.73 156.18 25.13 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 118.773 1.287 . . . . 0.0 110.476 165.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -83.39 126.43 32.72 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.981 0.912 . . . . 0.0 111.026 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -119.91 141.85 32.13 Favored Pre-proline 0 N--CA 1.481 1.099 0 C-N-CA 123.144 0.578 . . . . 0.0 110.216 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -69.47 -6.06 17.54 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 123.52 2.813 . . . . 0.0 114.374 -174.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -154.38 167.99 28.13 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.77 0.795 . . . . 0.0 111.665 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tt -90.98 47.75 1.44 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 113.891 -1.504 . . . . 0.0 107.466 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 78.0 mt -144.69 -53.38 0.31 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.5 p -64.52 -36.31 83.78 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.714 174.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HG ' ' HD2' ' A' ' 33' ' ' TYR . 3.1 tm? -63.16 -40.54 97.84 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.31 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.4 m -64.72 -39.67 94.03 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.75 0.82 . . . . 0.0 111.44 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 35.4 mm-40 -59.66 -46.31 89.4 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.702 174.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -61.52 -41.43 97.3 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.12 0.968 . . . . 0.0 111.181 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.53 -35.02 75.07 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.236 1.015 . . . . 0.0 112.811 -172.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.6 m -78.11 -29.05 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 122.465 0.306 . . . . 0.0 111.291 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -95.66 33.96 1.56 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.554 0.741 . . . . 0.0 110.813 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 . . . . . 0 CA--C 1.55 0.968 0 CA-C-O 119.443 -0.313 . . . . 0.0 110.208 -165.773 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.6 56.81 0.16 Allowed Glycine 0 C--N 1.337 0.629 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -159.93 107.02 1.64 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.835 0.854 . . . . 0.0 108.934 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -128.71 151.08 49.94 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -89.99 116.13 27.8 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.962 0.801 . . . . 0.0 110.598 -171.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.25 93.0 2.79 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 163.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -40.17 -45.19 1.98 Allowed 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 125.661 1.584 . . . . 0.0 114.874 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -55.69 -45.35 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 123.959 0.904 . . . . 0.0 111.035 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -88.58 -31.78 18.46 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.973 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t 72.41 8.83 5.78 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.292 1.837 . . . . 0.0 111.413 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -107.74 -174.74 2.6 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.499 0.719 . . . . 0.0 110.214 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -148.55 160.25 43.28 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.361 0.6 . . . . 0.0 112.412 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' HD1' ' H ' ' A' ' 15' ' ' SER . 22.0 t80 -99.97 152.06 20.62 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 169.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.21 1.12 1.11 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 176.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.563 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 30.0 t -133.82 146.56 50.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.552 1.141 . . . . 0.0 109.237 172.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.3 91.68 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.584 0.552 . . . . 0.0 110.193 173.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -70.91 -27.76 64.02 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.841 0.857 . . . . 0.0 110.104 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.39 -37.89 40.19 Favored Glycine 0 C--N 1.344 0.988 0 O-C-N 123.995 0.81 . . . . 0.0 112.217 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -64.56 -46.4 82.97 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.945 0.898 . . . . 0.0 110.382 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.607 HH21 HD13 ' A' ' 23' ' ' LEU . 2.9 mmp_? -53.93 -48.44 70.22 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.697 0.799 . . . . 0.0 111.257 172.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.29 -26.96 66.8 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.687 0.795 . . . . 0.0 111.431 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -73.3 -46.93 46.75 Favored 'General case' 0 C--O 1.208 -1.081 0 C-N-CA 123.019 0.528 . . . . 0.0 110.134 172.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.607 HD13 HH21 ' A' ' 20' ' ' ARG . 7.0 tt -66.78 -26.29 66.89 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.876 0.87 . . . . 0.0 112.752 -167.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -64.26 -13.81 51.78 Favored 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.1 p -68.7 -25.16 64.64 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.234 0.613 . . . . 0.0 110.53 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -93.47 -27.18 16.84 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.353 0.661 . . . . 0.0 109.29 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -68.2 -35.53 78.13 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.487 0.715 . . . . 0.0 110.55 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.5 149.53 51.19 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-O 119.113 -0.826 . . . . 0.0 111.748 168.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.07 120.1 7.02 Favored 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 122.129 1.886 . . . . 0.0 112.287 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.08 100.75 10.7 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -141.9 148.2 38.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.948 0.899 . . . . 0.0 109.164 -170.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -175.43 -179.68 1.32 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.753 0.821 . . . . 0.0 110.135 -169.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -137.48 108.03 6.55 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 173.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 28.0 ttt -130.35 122.03 27.11 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 54.0 t -82.82 112.01 34.24 Favored Pre-proline 0 CA--C 1.544 0.746 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 172.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -27.75 -55.8 0.12 Allowed 'Trans proline' 0 C--N 1.391 2.809 1 C-N-CA 126.087 4.525 . . . . 0.0 116.447 -166.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.3 mt -89.98 -49.96 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 C-N-CA 123.218 0.607 . . . . 0.0 111.654 -172.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.842 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -101.2 -41.91 6.54 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -167.467 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.404 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 79.05 39.69 19.02 Favored Glycine 0 C--N 1.354 1.564 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 175.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.842 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 25.7 mm-40 -63.98 123.47 19.08 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 172.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.03 133.81 48.6 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.141 0.977 . . . . 0.0 110.901 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -138.03 154.14 74.02 Favored Pre-proline 0 N--CA 1.482 1.172 0 C-N-CA 123.576 0.75 . . . . 0.0 110.878 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -57.37 -24.29 59.71 Favored 'Trans proline' 0 C--N 1.385 2.456 0 C-N-CA 123.7 2.933 . . . . 0.0 114.139 -176.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.4 m -155.71 166.29 33.96 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.536 0.735 . . . . 0.0 110.401 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -89.06 61.78 5.99 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-O 122.273 1.035 . . . . 0.0 108.582 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -149.96 -55.83 0.17 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -61.37 -36.13 79.37 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.567 172.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.7 -43.64 98.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.106 0.962 . . . . 0.0 110.244 172.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.43 HG23 ' NZ ' ' A' ' 52' ' ' LYS . 21.1 m -65.86 -45.88 80.5 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.622 0.769 . . . . 0.0 111.506 -175.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -59.33 -39.04 81.86 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.12 0.968 . . . . 0.0 111.103 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -70.59 -45.31 65.58 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' NZ ' HG23 ' A' ' 49' ' ' THR . 20.8 pttm -65.4 -34.07 77.45 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -165.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.38 -29.08 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.524 0.73 . . . . 0.0 111.927 -174.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.2 p -75.77 13.28 0.85 Allowed 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -176.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 . . . . . 0 CA--C 1.547 0.837 0 CA-C-O 118.585 -0.721 . . . . 0.0 109.339 173.496 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mmm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.63 -113.66 2.74 Favored Glycine 0 C--N 1.355 1.602 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -143.5 99.05 3.36 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 167.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -89.07 69.85 8.41 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.518 1.152 . . . . 0.0 108.829 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -109.21 133.44 53.02 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.058 -1.428 . . . . 0.0 108.337 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.5 t -75.31 92.98 2.82 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 172.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -49.24 -38.04 25.38 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 124.861 1.264 . . . . 0.0 113.293 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 t -58.99 -45.54 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.749 0.785 . . . . 0.0 111.138 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.8 m -84.38 -27.7 27.47 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.247 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.0 p 70.97 11.47 7.03 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.672 2.389 . . . . 0.0 111.744 -169.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -97.35 165.44 12.02 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 124.253 1.021 . . . . 0.0 111.559 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.2 t -96.5 160.24 14.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.457 0.703 . . . . 0.0 112.34 -172.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -77.67 -174.99 3.67 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.419 169.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -125.48 -59.19 1.39 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 105.69 -1.966 . . . . 0.0 105.69 170.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 p -109.53 153.75 23.68 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.191 0.997 . . . . 0.0 108.833 168.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -65.87 -33.18 75.25 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.837 0.455 . . . . 0.0 110.653 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -73.09 -30.74 63.89 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.421 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.33 99.16 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.426 175.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.14 -44.01 92.04 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.086 0.555 . . . . 0.0 110.586 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -60.99 -47.46 86.37 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.592 0.757 . . . . 0.0 112.25 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.54 -42.41 92.28 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.897 0.879 . . . . 0.0 110.626 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -67.96 -39.3 83.39 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.407 1.083 . . . . 0.0 110.29 176.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.42 -35.34 69.95 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.422 1.089 . . . . 0.0 111.85 -171.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -72.16 -17.17 61.97 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.019 0.928 . . . . 0.0 112.905 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -9.26 58.52 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.792 0.437 . . . . 0.0 111.281 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -104.18 -14.23 15.93 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.015 0.526 . . . . 0.0 111.058 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -70.32 38.03 0.05 OUTLIER 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 125.138 1.375 . . . . 0.0 112.773 168.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.79 167.37 18.66 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.99 162.51 31.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 123.362 2.708 . . . . 0.0 112.249 178.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.52 86.79 2.08 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 173.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -134.41 -7.81 2.56 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.163 0.985 . . . . 0.0 110.918 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -111.64 74.86 0.89 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -72.79 111.36 7.86 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.129 -167.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 56.8 ttp -106.49 133.02 51.81 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.366 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 39' ' ' GLY . 35.2 t -60.12 116.58 18.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 123.998 0.919 . . . . 0.0 111.571 -176.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -63.54 -25.81 69.87 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 123.046 2.497 . . . . 0.0 112.551 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.3 mt -78.84 -53.91 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 O-C-N 123.558 0.536 . . . . 0.0 112.213 -173.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.497 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 23.3 p -127.25 -39.56 1.89 Allowed 'General case' 0 C--N 1.362 1.114 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 35' ' ' CYS . . . 119.62 49.08 0.32 Allowed Glycine 0 C--N 1.363 2.047 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 157.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 14.7 mp0 -79.69 125.44 29.65 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.669 1.188 . . . . 0.0 110.171 168.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -83.81 123.32 29.77 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.409 ' HD2' HD23 ' A' ' 48' ' ' LEU . 51.4 m-85 -116.93 155.25 49.47 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.342 1.057 . . . . 0.0 110.437 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.08 -22.83 25.58 Favored 'Trans proline' 0 C--N 1.387 2.561 0 C-N-CA 122.83 2.353 . . . . 0.0 112.668 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.6 p -158.36 168.89 25.76 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 121.505 0.669 . . . . 0.0 111.785 -171.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -87.58 71.0 9.8 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 170.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.5 mt -152.1 -54.23 0.13 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 p -72.74 -37.47 67.72 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.461 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.409 HD23 ' HD2' ' A' ' 42' ' ' PHE . 3.2 tm? -59.67 -39.32 84.07 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.915 0.486 . . . . 0.0 109.899 172.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.5 m -62.15 -41.85 98.69 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.571 0.749 . . . . 0.0 111.623 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.74 -37.55 87.8 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.362 0.665 . . . . 0.0 111.201 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.61 -50.42 31.0 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.757 0.823 . . . . 0.0 112.613 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -62.5 -35.07 78.22 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.602 0.761 . . . . 0.0 112.064 -174.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.6 m -74.91 -29.68 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 C-N-CA 122.677 0.391 . . . . 0.0 111.724 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.6 p -97.42 12.74 32.17 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.989 0.516 . . . . 0.0 112.058 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 123.531 0.732 . . . . 0.0 110.645 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.51 74.17 0.02 OUTLIER Glycine 0 C--N 1.342 0.871 0 N-CA-C 109.946 -1.262 . . . . 0.0 109.946 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 t -157.69 104.96 1.99 Allowed 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -140.06 150.81 44.82 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -88.96 134.17 34.06 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.284 0.947 . . . . 0.0 111.367 -170.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.4 t -88.52 104.56 16.94 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 165.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -47.87 -43.99 28.95 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.368 1.067 . . . . 0.0 113.632 -170.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.77 -45.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.191 0.996 . . . . 0.0 111.525 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.2 m -87.38 -32.22 19.69 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.125 -172.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.2 p 66.23 16.02 10.29 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 126.802 2.041 . . . . 0.0 112.305 -169.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -114.98 -176.9 3.0 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.438 1.095 . . . . 0.0 110.748 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -148.22 164.2 34.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.657 0.783 . . . . 0.0 111.196 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -107.49 149.48 27.91 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.963 1.305 . . . . 0.0 109.818 173.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -53.93 -25.61 21.3 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.831 1.252 . . . . 0.0 113.272 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 m -110.22 136.06 50.01 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 171.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -36.09 82.93 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.201 0.6 . . . . 0.0 109.719 173.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -73.1 -28.03 62.04 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.255 1.022 . . . . 0.0 111.176 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.11 -35.6 64.3 Favored Glycine 0 C--N 1.344 1.007 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.9 -45.64 67.15 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.28 1.032 . . . . 0.0 110.456 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -59.92 -43.73 94.72 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.52 0.728 . . . . 0.0 111.896 175.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.58 -43.11 89.35 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.544 0.737 . . . . 0.0 109.925 173.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -64.8 -36.36 84.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.378 1.071 . . . . 0.0 111.559 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.64 -24.99 65.98 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.41 -22.31 63.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.654 1.182 . . . . 0.0 113.05 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 p -72.11 -17.1 62.01 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.5 0.72 . . . . 0.0 111.284 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -104.53 7.05 35.14 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.426 0.69 . . . . 0.0 111.793 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -72.32 -24.02 61.25 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.64 -164.47 35.18 Favored Glycine 0 C--N 1.349 1.265 0 CA-C-O 119.816 -0.435 . . . . 0.0 113.695 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.98 150.3 48.49 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.124 2.55 . . . . 0.0 112.033 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.83 64.53 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.615 0.766 . . . . 0.0 110.252 -174.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -77.64 1.46 19.69 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.398 0.679 . . . . 0.0 112.825 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 44.22 79.14 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 125.186 1.395 . . . . 0.0 112.777 173.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.435 ' HD2' ' HG ' ' A' ' 48' ' ' LEU . 8.3 t80 -82.38 142.8 31.68 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.075 -172.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 49.8 ttm -98.48 140.48 32.66 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.644 1.178 . . . . 0.0 108.046 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.569 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 48.5 t -68.62 126.87 93.16 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.087 -0.482 . . . . 0.0 110.678 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -58.95 -37.28 94.34 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.863 2.375 . . . . 0.0 111.879 174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.6 mt -84.19 -54.09 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.281 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.747 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 13.9 p -129.83 12.12 5.72 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -174.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.569 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 60.29 22.96 59.36 Favored Glycine 0 N--CA 1.48 1.596 0 N-CA-C 117.368 1.707 . . . . 0.0 117.368 173.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.747 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 18.2 mm-40 -61.64 133.27 55.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 117.386 0.593 . . . . 0.0 110.69 168.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -89.27 125.83 35.26 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.582 0.753 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -132.06 146.61 62.41 Favored Pre-proline 0 N--CA 1.476 0.864 0 C-N-CA 123.976 0.91 . . . . 0.0 109.516 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -59.88 -19.88 56.97 Favored 'Trans proline' 0 C--N 1.381 2.278 0 C-N-CA 123.836 3.024 . . . . 0.0 115.07 -171.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 p -150.74 172.02 16.25 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.716 0.769 . . . . 0.0 111.799 -171.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.47 43.83 1.17 Allowed 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.099 -1.409 . . . . 0.0 108.005 175.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -141.72 -53.87 0.45 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.2 p -68.74 -33.48 73.99 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.453 -1.248 . . . . 0.0 111.912 174.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 35' ' ' CYS . 2.2 tm? -70.36 -38.79 74.84 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 172.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 m -62.62 -46.07 89.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.456 0.702 . . . . 0.0 111.316 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.41 -38.21 90.25 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.514 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -63.46 -43.73 96.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.113 0.965 . . . . 0.0 110.86 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 55' ' ' HIS . 36.0 ttpt -68.99 -35.26 76.5 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.127 -172.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -80.04 -35.63 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 122.819 0.448 . . . . 0.0 112.153 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 p -94.79 36.98 1.15 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.144 0.978 . . . . 0.0 110.707 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 52' ' ' LYS . 17.9 t-80 . . . . . 0 CA--C 1.548 0.885 0 C-N-CA 123.105 0.562 . . . . 0.0 110.333 -162.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.0 mtp . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.46 -152.79 24.05 Favored Glycine 0 C--N 1.347 1.178 0 O-C-N 123.426 0.454 . . . . 0.0 112.902 172.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -156.87 105.07 2.16 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.407 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 8.4 m-70 -98.55 159.38 14.99 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -170.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -101.19 120.59 40.46 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 123.383 0.673 . . . . 0.0 109.33 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.488 ' HB2' HD21 ' A' ' 19' ' ' LEU . 40.9 t -70.19 96.47 1.09 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.79 -29.98 13.02 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.401 1.08 . . . . 0.0 112.036 173.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 t -68.5 -49.9 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.738 0.815 . . . . 0.0 110.927 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.2 m -91.51 -86.82 0.22 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.8 m 175.41 -51.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.48 1.512 . . . . 0.0 109.58 -172.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HG3' ' H ' ' A' ' 12' ' ' THR . 21.8 tpp180 -85.73 -176.94 6.24 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.846 0.859 . . . . 0.0 111.309 -164.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.535 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 9.9 t -128.73 156.25 43.81 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 125.079 1.351 . . . . 0.0 109.242 -169.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.604 ' HD1' ' H ' ' A' ' 15' ' ' SER . 6.9 t80 -108.22 138.63 44.17 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -46.94 -36.58 7.81 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.019 1.328 . . . . 0.0 113.533 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.604 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 59.9 p -108.56 141.29 40.68 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.53 0.732 . . . . 0.0 109.955 175.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.11 -46.34 79.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.141 0.976 . . . . 0.0 110.608 171.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -56.22 -33.47 65.4 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.746 1.219 . . . . 0.0 111.602 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.45 -40.86 31.8 Favored Glycine 0 C--N 1.344 1.011 0 O-C-N 124.134 0.896 . . . . 0.0 112.154 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.2 tm? -65.25 -44.41 88.24 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 117.479 0.639 . . . . 0.0 109.585 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -53.4 -46.65 69.78 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 124.273 0.983 . . . . 0.0 111.397 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' HA ' HE21 ' A' ' 24' ' ' GLN . 43.8 tt0 -64.37 -38.33 90.66 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.253 1.021 . . . . 0.0 110.833 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -70.66 -34.89 72.52 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.775 1.23 . . . . 0.0 111.086 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tt -65.42 -34.28 77.92 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.964 1.305 . . . . 0.0 111.568 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.467 HE21 ' HA ' ' A' ' 21' ' ' GLU . 36.7 mt-30 -56.85 -24.68 53.11 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.901 0.88 . . . . 0.0 112.507 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.0 p -78.23 -25.98 47.18 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 123.783 0.833 . . . . 0.0 111.093 -172.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -78.06 -26.62 48.34 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.179 0.592 . . . . 0.0 112.354 -171.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -89.48 32.96 0.83 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.345 0.658 . . . . 0.0 110.018 172.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.99 177.02 44.79 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 119.323 -0.709 . . . . 0.0 111.571 -171.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -69.19 118.69 5.83 Favored 'Trans proline' 0 C--N 1.365 1.426 0 CA-C-N 119.763 1.781 . . . . 0.0 109.498 172.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.8 74.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.835 1.254 . . . . 0.0 113.621 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -144.78 17.49 1.63 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.366 2.266 . . . . 0.0 106.856 172.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -106.95 162.32 13.94 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 125.2 1.4 . . . . 0.0 111.264 -166.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -119.81 133.0 55.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.027 0.931 . . . . 0.0 110.246 -176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.8 ttt -113.06 141.16 47.2 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.999 0.919 . . . . 0.0 109.459 -172.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.02 134.59 92.93 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.891 0.877 . . . . 0.0 112.338 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.88 -47.4 8.73 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.71 2.274 . . . . 0.0 112.683 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.5 mt -78.15 -54.48 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -169.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.483 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 8.5 p -123.86 7.7 8.72 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.97 34.31 88.45 Favored Glycine 0 N--CA 1.483 1.771 0 N-CA-C 117.89 1.916 . . . . 0.0 117.89 164.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 18.2 mp0 -59.41 141.29 54.97 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.432 1.093 . . . . 0.0 111.143 165.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -90.72 127.99 36.51 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 124.024 0.929 . . . . 0.0 110.008 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -136.74 140.96 33.47 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 123.378 0.671 . . . . 0.0 109.227 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.37 -13.1 32.79 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.173 2.582 . . . . 0.0 113.974 -174.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.0 p -148.29 166.97 26.41 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.378 0.609 . . . . 0.0 111.385 -172.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.5 43.07 1.13 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -139.02 -54.85 0.59 Allowed 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.4 p -60.56 -38.09 83.42 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.113 169.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.88 -36.87 85.77 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.148 0.579 . . . . 0.0 109.879 173.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.0 m -64.35 -46.06 85.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.432 0.693 . . . . 0.0 111.291 -177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.38 -48.93 68.2 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 123.141 0.577 . . . . 0.0 111.711 172.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -60.92 -38.02 84.3 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.647 0.379 . . . . 0.0 111.407 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -71.47 -39.6 70.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.917 0.887 . . . . 0.0 111.292 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -82.33 -36.06 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.017 0.527 . . . . 0.0 111.563 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.8 p -82.42 13.1 3.83 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.119 0.567 . . . . 0.0 111.974 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 CA--C 1.559 1.301 0 C-N-CA 123.454 0.701 . . . . 0.0 111.43 -179.549 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.97 -167.9 33.65 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.118 -0.492 . . . . 0.0 113.02 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -148.38 103.64 3.45 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 123.417 0.687 . . . . 0.0 109.764 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.419 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 4.3 t60 -57.88 90.0 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 166.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -89.03 150.3 22.85 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.612 -173.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.54 99.55 8.87 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -46.82 -43.24 18.29 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.136 1.374 . . . . 0.0 113.907 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.86 -48.84 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 123.447 0.699 . . . . 0.0 111.123 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.6 m -74.74 -36.21 62.64 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.249 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m 69.13 8.79 7.03 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.61 1.564 . . . . 0.0 111.93 -167.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -106.19 164.89 11.64 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.539 0.736 . . . . 0.0 111.188 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.4 p -115.88 162.04 17.91 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.216 1.006 . . . . 0.0 112.511 -166.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' HB3' HD23 ' A' ' 19' ' ' LEU . 40.3 p90 -78.61 -174.72 4.0 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -176.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -111.13 -61.18 1.73 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 170.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.5 p -107.2 158.77 16.84 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.791 0.836 . . . . 0.0 109.285 172.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.06 -41.47 95.08 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.227 0.611 . . . . 0.0 111.464 -172.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -75.12 -21.82 58.62 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.53 0.732 . . . . 0.0 110.203 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.91 -37.66 91.38 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.823 174.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 4' ' ' HIS . 1.3 tm? -70.47 -42.08 71.92 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -62.39 -41.62 98.79 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.144 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.41 -45.16 73.37 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.751 0.82 . . . . 0.0 110.436 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -61.68 -31.14 71.25 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.688 0.795 . . . . 0.0 111.908 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.44 -25.28 68.2 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.3 0.64 . . . . 0.0 111.959 -172.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -63.57 -22.33 66.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.644 1.178 . . . . 0.0 112.92 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.3 p -69.34 -9.05 51.59 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.088 0.955 . . . . 0.0 112.085 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -121.76 -22.4 5.81 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.595 0.758 . . . . 0.0 111.108 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -115.22 10.71 16.06 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.242 0.617 . . . . 0.0 112.396 -172.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.94 -174.35 47.93 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-O 119.527 -0.596 . . . . 0.0 112.839 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -62.21 122.36 10.78 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 122.762 2.308 . . . . 0.0 111.766 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.26 126.51 35.21 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HB3' HD12 ' A' ' 45' ' ' LEU . 46.7 mtmt -42.86 86.58 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 125.711 1.604 . . . . 0.0 114.567 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -78.85 178.63 7.8 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.902 0.881 . . . . 0.0 110.333 174.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.34 85.67 1.86 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.6 ttp -130.53 116.42 18.14 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.42 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 40.7 t -55.5 132.74 70.94 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 123.528 0.731 . . . . 0.0 112.564 -174.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.03 -37.32 43.69 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 122.203 1.935 . . . . 0.0 112.471 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mt -85.68 -54.47 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.733 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 13.7 p -122.87 3.49 9.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 62.93 27.74 70.79 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 116.647 1.419 . . . . 0.0 116.647 170.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.733 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 41.0 mm-40 -65.58 146.77 54.43 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 122.914 0.486 . . . . 0.0 111.831 168.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -102.89 139.26 38.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.561 1.145 . . . . 0.0 109.371 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -130.35 156.28 79.72 Favored Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 123.223 0.609 . . . . 0.0 110.783 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -64.13 -14.37 43.22 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.084 2.523 . . . . 0.0 113.944 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.0 p -149.73 168.07 24.68 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.889 0.852 . . . . 0.0 111.452 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 31' ' ' LYS . 1.4 tt -92.27 49.65 1.54 Allowed 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 173.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 87.3 mt -147.52 -51.29 0.19 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -176.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.6 p -63.7 -36.91 85.41 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.607 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.03 -29.17 68.91 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 123.093 0.557 . . . . 0.0 110.586 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.9 m -68.94 -45.33 71.05 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.853 0.861 . . . . 0.0 110.812 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 46.3 mt-10 -58.63 -48.62 80.41 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.479 177.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -58.51 -40.1 81.91 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.482 1.113 . . . . 0.0 112.367 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -60.93 -46.62 89.94 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.971 0.794 . . . . 0.0 112.27 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 m -78.86 -40.32 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 122.804 0.442 . . . . 0.0 112.19 -173.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.3 p -94.21 37.96 1.1 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.247 1.019 . . . . 0.0 110.585 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--O 1.25 1.091 0 C-N-CA 123.376 0.67 . . . . 0.0 110.672 -165.203 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.25 97.05 2.43 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.999 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -139.79 102.33 4.4 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 172.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.452 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 17.8 m170 -53.13 127.29 23.67 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.321 168.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -107.63 148.32 29.49 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.398 1.479 . . . . 0.0 111.032 -173.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.567 ' HB2' HD21 ' A' ' 19' ' ' LEU . 42.3 t -82.83 107.17 15.25 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 171.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -56.89 -38.71 73.16 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.578 0.751 . . . . 0.0 112.008 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.7 -56.98 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 C-N-CA 123.401 0.68 . . . . 0.0 111.322 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.91 -28.9 64.86 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.1 p 70.53 2.71 4.19 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 127.003 2.121 . . . . 0.0 111.846 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -101.26 165.12 11.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.311 1.044 . . . . 0.0 109.913 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -119.77 153.74 35.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.833 0.853 . . . . 0.0 109.931 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' HD2' ' H ' ' A' ' 15' ' ' SER . 23.6 t80 -87.33 162.16 17.53 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -64.1 -30.95 71.98 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.912 0.485 . . . . 0.0 110.654 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.57 ' H ' ' HD2' ' A' ' 13' ' ' PHE . 15.9 t -125.97 163.15 23.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.713 1.205 . . . . 0.0 109.112 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -88.66 -30.54 19.08 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -169.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -75.0 -42.37 57.67 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.38 -39.86 60.11 Favored Glycine 0 C--N 1.345 1.061 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.457 172.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.6 tm? -65.65 -47.14 76.57 Favored 'General case' 0 C--O 1.212 -0.877 0 C-N-CA 123.271 0.628 . . . . 0.0 110.851 174.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -55.2 -42.03 72.73 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.552 0.741 . . . . 0.0 112.213 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -67.99 -39.9 83.19 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.927 0.491 . . . . 0.0 110.328 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.91 -26.75 68.45 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.058 0.943 . . . . 0.0 111.448 174.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 tt -71.51 -27.9 63.53 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -78.47 -27.62 46.36 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 124.046 0.939 . . . . 0.0 111.283 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.1 p -65.46 -12.03 48.68 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -91.59 -24.98 19.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.054 0.542 . . . . 0.0 111.026 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -100.17 -19.43 16.44 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.026 0.53 . . . . 0.0 110.787 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.38 -178.5 51.22 Favored Glycine 0 C--N 1.343 0.969 0 C-N-CA 123.665 0.65 . . . . 0.0 113.497 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -62.45 120.94 8.71 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.851 2.367 . . . . 0.0 111.105 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.12 146.03 8.91 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.075 0.95 . . . . 0.0 109.129 -174.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -73.41 160.91 31.07 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -117.46 160.95 20.36 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 174.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.547 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -87.83 133.67 33.84 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.746 0.418 . . . . 0.0 110.489 -172.598 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.0 ttt -106.09 132.98 51.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 170.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 36.1 t -60.38 121.17 58.05 Favored Pre-proline 0 CA--C 1.551 0.992 0 O-C-N 123.536 0.523 . . . . 0.0 111.092 -176.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.98 -36.05 98.35 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.697 2.265 . . . . 0.0 113.59 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.8 mt -88.52 -53.31 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -172.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.727 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 6.6 p -116.87 -0.98 12.11 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -176.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 66.65 29.31 74.54 Favored Glycine 0 C--N 1.341 0.82 0 N-CA-C 116.859 1.504 . . . . 0.0 116.859 170.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.727 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 28.9 mm-40 -67.71 113.37 5.44 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 117.247 0.524 . . . . 0.0 110.11 165.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -83.14 126.98 33.2 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 174.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -116.77 153.86 49.32 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 123.933 0.893 . . . . 0.0 110.012 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.82 -13.57 40.44 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 123.071 2.514 . . . . 0.0 113.309 -175.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.3 p -153.04 169.09 23.78 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.535 0.683 . . . . 0.0 111.4 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.547 ' HG ' ' HB2' ' A' ' 33' ' ' TYR . 5.3 mp -88.78 42.12 1.06 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.753 1.221 . . . . 0.0 109.265 176.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.4 mt -138.21 -53.58 0.62 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -168.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 p -67.68 -34.85 77.73 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 112.981 -1.918 . . . . 0.0 111.357 172.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' HG ' ' HB3' ' A' ' 33' ' ' TYR . 2.8 tm? -66.14 -35.42 80.44 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -67.9 -38.73 83.33 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.061 0.544 . . . . 0.0 110.924 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -62.1 -38.25 88.16 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.475 172.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -70.69 -51.51 27.16 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.095 0.958 . . . . 0.0 112.695 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -57.52 -30.62 65.31 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -167.267 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.3 m -62.95 -20.62 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 124.018 0.927 . . . . 0.0 113.03 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -79.29 -2.67 42.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.951 0.501 . . . . 0.0 112.296 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--O 1.249 1.043 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.061 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.71 -90.86 0.4 Allowed Glycine 0 C--N 1.34 0.783 0 O-C-N 123.687 0.617 . . . . 0.0 112.352 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -89.88 99.64 12.61 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.922 0.867 . . . . 0.0 109.569 -172.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.439 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 64.4 m80 -70.03 71.81 0.4 Allowed 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 114.019 -1.446 . . . . 0.0 109.975 168.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -107.04 137.62 44.77 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.064 -0.971 . . . . 0.0 108.972 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.0 t -94.53 82.04 3.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.332 1.053 . . . . 0.0 108.415 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -57.42 -35.92 70.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.301 1.44 . . . . 0.0 114.741 -167.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.4 t -58.53 -45.61 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.164 0.586 . . . . 0.0 111.61 -171.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.0 p -92.82 -28.71 16.37 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.23 0.612 . . . . 0.0 111.014 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 m 99.43 3.05 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 128.051 2.541 . . . . 0.0 112.696 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -81.17 146.2 30.63 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.828 0.451 . . . . 0.0 110.545 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -98.66 170.53 8.73 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 123.546 0.738 . . . . 0.0 110.846 -176.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -76.57 169.22 18.67 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.813 0.816 . . . . 0.0 112.247 175.65 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -112.86 -59.62 1.99 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -114.32 170.98 7.9 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 114.297 -1.32 . . . . 0.0 107.524 163.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.85 -34.96 77.72 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 117.683 0.22 . . . . 0.0 110.819 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -74.89 -28.55 60.68 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.171 0.589 . . . . 0.0 110.058 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.98 -36.44 88.18 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.949 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' HG ' ' HB3' ' A' ' 4' ' ' HIS . 2.7 tm? -60.87 -47.3 87.0 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.339 0.655 . . . . 0.0 109.94 172.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -63.82 -39.1 93.42 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 124.366 1.041 . . . . 0.0 111.465 -173.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.83 -47.94 64.76 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.45 0.7 . . . . 0.0 110.003 176.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -60.71 -29.08 69.13 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.98 178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.19 -33.16 75.14 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.58 0.752 . . . . 0.0 110.921 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -73.97 -17.38 61.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.139 0.976 . . . . 0.0 111.594 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.1 p -68.87 -12.8 61.94 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.15 0.58 . . . . 0.0 111.624 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -116.39 -20.97 9.48 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.908 0.883 . . . . 0.0 110.128 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -82.2 -37.78 25.56 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.898 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.21 -148.26 6.0 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.222 170.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.76 121.71 7.23 Favored 'Trans proline' 0 CA--C 1.551 1.367 0 C-N-CA 122.183 1.922 . . . . 0.0 111.65 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.64 133.7 55.64 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -65.58 91.18 0.12 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.562 0.745 . . . . 0.0 112.927 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -92.44 143.74 26.06 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 165.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -74.16 107.21 6.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.615 0.721 . . . . 0.0 112.87 -162.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 47.6 ttm -100.89 140.31 35.35 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.367 -1.288 . . . . 0.0 107.844 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HA ' HD21 ' A' ' 48' ' ' LEU . 20.2 t -58.57 130.83 85.23 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.779 0.832 . . . . 0.0 111.917 -178.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.07 -40.36 34.27 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.525 2.15 . . . . 0.0 112.18 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.9 mt -81.49 -53.63 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -168.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' SG ' ' OE1' ' A' ' 40' ' ' GLU . 22.7 p -127.39 8.78 6.55 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.38 36.08 92.91 Favored Glycine 0 N--CA 1.477 1.387 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 163.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' OE1' ' SG ' ' A' ' 38' ' ' CYS . 21.5 mp0 -69.68 122.48 19.22 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.038 0.935 . . . . 0.0 109.478 164.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -73.37 132.2 42.75 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.448 ' HD2' HD23 ' A' ' 48' ' ' LEU . 68.2 m-85 -127.7 152.2 76.53 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 124.079 0.952 . . . . 0.0 109.629 175.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -64.34 -28.6 63.33 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.569 2.179 . . . . 0.0 113.218 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -159.14 175.16 13.81 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 121.411 0.624 . . . . 0.0 111.964 -170.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 1.9 pp -82.27 45.24 0.93 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.115 1.366 . . . . 0.0 112.134 178.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -132.24 -55.47 0.97 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 -177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -69.27 -35.19 75.82 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.156 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 35' ' ' CYS . 3.2 tm? -66.33 -40.09 89.65 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 175.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -63.45 -45.0 92.9 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.512 0.725 . . . . 0.0 111.149 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -61.55 -43.32 99.08 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.887 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.68 -37.81 85.49 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.576 0.75 . . . . 0.0 111.183 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.55 -40.71 69.82 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.798 0.839 . . . . 0.0 112.422 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.2 m -77.14 -28.98 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 122.172 -0.33 . . . . 0.0 111.538 -176.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.9 p -98.84 14.4 29.03 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.279 0.632 . . . . 0.0 111.749 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 . . . . . 0 CA--C 1.556 1.179 0 C-N-CA 123.292 0.637 . . . . 0.0 111.002 179.414 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.3 -179.87 49.5 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.67 0.606 . . . . 0.0 113.125 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -152.42 106.0 3.08 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 123.525 0.73 . . . . 0.0 109.951 -176.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -62.71 87.79 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 162.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -132.49 147.99 52.38 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.073 1.349 . . . . 0.0 107.512 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 33.9 t -73.34 22.37 0.07 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 116.161 1.911 . . . . 0.0 116.161 -158.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 52.35 -68.51 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 126.025 1.73 . . . . 0.0 115.128 153.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.47 -50.67 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.811 1.244 . . . . 0.0 109.376 173.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.548 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 96.4 m -68.26 -48.12 65.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.552 169.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.2 p 46.03 74.87 0.13 Allowed 'General case' 0 C--N 1.361 1.077 0 O-C-N 124.924 1.39 . . . . 0.0 110.406 -165.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' HG2' ' HB3' ' A' ' 9' ' ' CYS . 15.2 mmm180 -125.0 -71.87 0.69 Allowed 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -168.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -179.92 -170.43 0.15 Allowed 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.162 -161.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -164.89 147.09 8.17 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.702 1.601 . . . . 0.0 107.583 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -78.53 -42.59 29.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.1 p -161.66 -173.39 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 113.419 -1.719 . . . . 0.0 108.521 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 37.6 mm-40 -61.31 -47.84 84.13 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 171.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -68.9 -31.56 70.57 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.485 0.714 . . . . 0.0 110.019 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.05 -51.15 60.92 Favored Glycine 0 C--N 1.354 1.557 0 O-C-N 124.485 1.116 . . . . 0.0 111.85 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.44 HD21 ' N ' ' A' ' 6' ' ' CYS . 2.7 tm? -59.21 -50.36 74.34 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.219 1.008 . . . . 0.0 111.549 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 18.6 mtm180 -63.65 -41.58 98.2 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.255 -174.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -46.36 79.68 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.884 0.874 . . . . 0.0 109.755 174.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -70.64 -27.46 64.07 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.341 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -63.78 -23.34 67.32 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.541 0.737 . . . . 0.0 112.874 -172.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -59.29 -19.44 46.18 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.196 0.998 . . . . 0.0 113.008 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.0 p -76.02 -1.96 28.33 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 123.777 0.831 . . . . 0.0 111.847 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -124.19 -23.26 4.58 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.844 0.857 . . . . 0.0 110.874 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -59.4 -44.49 92.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.785 0.834 . . . . 0.0 110.949 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.77 -139.02 8.88 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.833 171.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -77.68 162.26 30.15 Favored 'Trans proline' 0 C--N 1.364 1.385 0 C-N-CA 123.534 2.823 . . . . 0.0 112.944 175.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.34 37.86 2.61 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HD3' ' H ' ' A' ' 42' ' ' PHE . 1.4 tpmt? -64.23 133.08 52.12 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.653 -168.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -67.17 -30.78 70.85 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.888 0.743 . . . . 0.0 111.24 -174.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.599 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -143.19 115.44 8.44 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 164.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.3 ttm -93.79 119.42 32.73 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 166.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.496 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 9.3 t -64.0 127.12 91.42 Favored Pre-proline 0 CA--C 1.562 1.42 0 C-N-CA 123.378 0.671 . . . . 0.0 110.867 -168.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -52.11 -44.92 42.47 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.161 2.574 . . . . 0.0 114.784 -172.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.9 mt -84.53 -51.96 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 p -99.54 -37.64 9.09 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.496 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 73.9 28.52 64.62 Favored Glycine 0 C--N 1.349 1.289 0 N-CA-C 115.367 0.907 . . . . 0.0 115.367 173.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.19 164.09 24.98 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.442 0.697 . . . . 0.0 111.86 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -93.26 122.59 35.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.617 0.767 . . . . 0.0 109.901 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.441 ' H ' ' HD3' ' A' ' 31' ' ' LYS . 73.8 m-85 -112.57 140.81 24.27 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 123.628 0.771 . . . . 0.0 109.578 177.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -54.09 -32.76 70.93 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 123.424 2.749 . . . . 0.0 112.939 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 t -161.7 179.59 8.02 Favored 'General case' 0 C--O 1.247 0.939 0 C-N-CA 123.542 0.737 . . . . 0.0 109.994 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.599 ' HG ' ' HB2' ' A' ' 33' ' ' TYR . 2.1 tt -92.54 59.33 3.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.67 0.788 . . . . 0.0 108.904 -174.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mp -139.25 -48.27 0.48 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.1 p -62.95 -28.68 70.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.577 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' HG ' ' HB3' ' A' ' 33' ' ' TYR . 3.2 tm? -60.56 -44.66 95.92 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 171.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 m -65.49 -41.73 92.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.638 0.775 . . . . 0.0 110.914 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.88 -42.96 94.37 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.184 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -70.68 -47.92 57.42 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.512 1.125 . . . . 0.0 113.537 -174.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -33.75 41.98 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 124.465 1.106 . . . . 0.0 113.711 -167.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.2 m -60.51 -25.28 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 123.941 0.896 . . . . 0.0 112.447 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.8 p -83.63 0.96 44.6 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 . . . . . 0 CA--C 1.554 1.097 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.211 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.44 92.55 0.07 OUTLIER Glycine 0 C--N 1.354 1.54 0 O-C-N 123.933 0.771 . . . . 0.0 111.774 174.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 p -163.04 105.83 1.03 Allowed 'General case' 0 C--O 1.244 0.779 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.14 166.88 10.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.941 0.791 . . . . 0.0 109.597 -174.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -109.7 115.5 29.99 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.45 0.7 . . . . 0.0 109.936 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.437 ' HB2' HD21 ' A' ' 19' ' ' LEU . 43.2 t -70.26 91.07 0.71 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 171.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -54.81 -32.07 59.93 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.794 1.238 . . . . 0.0 112.416 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.2 t -56.62 -44.12 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 124.143 0.977 . . . . 0.0 110.583 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.2 m -88.35 -22.82 23.61 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.581 176.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m 75.98 7.9 3.6 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.648 1.979 . . . . 0.0 112.098 -175.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -115.59 174.19 6.14 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.395 0.678 . . . . 0.0 110.529 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -121.9 156.02 34.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.763 0.825 . . . . 0.0 110.125 -172.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' HD1' ' H ' ' A' ' 15' ' ' SER . 3.1 t80 -107.57 136.79 46.74 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 165.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -73.39 0.15 13.04 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.424 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 29.5 m -132.38 136.28 46.71 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.052 0.941 . . . . 0.0 109.794 173.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.36 -55.68 30.71 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.468 1.107 . . . . 0.0 112.393 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.04 -19.32 63.3 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.545 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.2 -36.85 49.92 Favored Glycine 0 C--N 1.343 0.921 0 O-C-N 123.894 0.746 . . . . 0.0 111.733 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 6' ' ' CYS . 2.7 tm? -63.98 -46.81 82.95 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.058 0.943 . . . . 0.0 110.296 171.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -62.58 -32.45 73.44 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.807 0.843 . . . . 0.0 111.473 176.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.19 -32.82 59.19 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.501 0.72 . . . . 0.0 110.585 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 25' ' ' THR . 36.1 t60 -67.27 -36.73 82.19 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.891 0.876 . . . . 0.0 109.651 172.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -23.21 66.25 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.816 1.246 . . . . 0.0 111.171 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -63.91 -15.51 59.26 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.601 0.76 . . . . 0.0 112.925 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 22' ' ' HIS . 4.9 t -81.77 -20.15 39.82 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.804 0.442 . . . . 0.0 110.981 175.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -90.37 39.79 0.99 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.627 1.171 . . . . 0.0 110.609 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -81.33 -9.74 59.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.084 0.553 . . . . 0.0 111.72 -169.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.26 -166.36 10.64 Favored Glycine 0 C--N 1.342 0.911 0 CA-C-O 119.107 -0.829 . . . . 0.0 111.441 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -81.58 123.57 4.34 Favored 'Trans proline' 0 C--N 1.369 1.653 0 C-N-CA 123.236 2.624 . . . . 0.0 111.76 -178.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.77 -65.95 0.95 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 169.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -140.19 61.15 1.53 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 167.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -112.78 101.9 9.96 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -116.89 146.5 42.9 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.307 0.575 . . . . 0.0 112.327 -169.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.1 ttm -110.1 143.3 40.35 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.387 1.475 . . . . 0.0 107.37 171.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.63 143.44 96.49 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 122.651 0.38 . . . . 0.0 111.777 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.87 -48.6 0.47 Allowed 'Trans proline' 0 CA--C 1.556 1.581 0 C-N-CA 122.021 1.814 . . . . 0.0 113.128 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -78.84 -51.97 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -167.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.5 p -109.77 -39.83 4.99 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 118.488 0.585 . . . . 0.0 111.436 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.34 39.76 4.4 Favored Glycine 0 C--N 1.348 1.205 0 N-CA-C 116.725 1.45 . . . . 0.0 116.725 156.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.26 160.25 29.02 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 117.631 0.716 . . . . 0.0 110.617 167.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -86.59 146.38 26.37 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.81 -176.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -123.43 145.44 46.78 Favored Pre-proline 0 N--CA 1.483 1.215 0 C-N-CA 123.355 0.662 . . . . 0.0 111.288 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -73.39 -18.65 22.9 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.314 2.676 . . . . 0.0 112.996 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 p -158.94 164.38 35.67 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.453 0.701 . . . . 0.0 111.184 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -84.6 79.15 9.69 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 57.2 tp -160.92 -55.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -65.77 -31.67 72.78 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.973 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.1 -44.09 91.93 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.352 0.661 . . . . 0.0 110.33 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.8 m -67.92 -41.79 82.07 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.621 0.768 . . . . 0.0 111.249 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 7.9 mm-40 -62.56 -40.33 96.48 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.718 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -71.15 -37.42 72.26 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.895 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -57.04 -51.68 68.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.216 1.006 . . . . 0.0 111.35 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.94 -26.5 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.757 -174.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.7 p -86.84 5.45 36.67 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 118.894 -0.574 . . . . 0.0 111.386 176.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttm . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.54 -154.23 20.02 Favored Glycine 0 C--N 1.347 1.146 0 N-CA-C 110.444 -1.063 . . . . 0.0 110.444 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -149.11 98.1 2.78 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.318 0.58 . . . . 0.0 109.536 172.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -86.03 70.96 10.65 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 163.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -118.52 136.6 53.74 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 114.713 -1.131 . . . . 0.0 108.215 -175.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.9 t -78.2 94.52 4.77 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -49.18 -40.27 32.51 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.811 1.244 . . . . 0.0 113.698 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.92 -44.85 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 C-N-CA 124.05 0.94 . . . . 0.0 110.874 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 87.4 m -79.88 -30.02 40.08 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.764 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 m 72.96 9.74 5.4 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.561 1.945 . . . . 0.0 112.836 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -113.58 168.24 9.93 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -101.57 162.5 12.86 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.475 -163.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.457 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -77.87 -175.04 3.79 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.369 174.354 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -133.77 -55.0 0.88 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.9 p -105.43 146.06 30.0 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 124.556 1.142 . . . . 0.0 108.344 168.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.95 -39.13 87.2 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.883 0.473 . . . . 0.0 110.797 -175.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -73.59 -21.76 60.24 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.034 0.534 . . . . 0.0 110.162 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.95 97.65 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.885 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.59 -42.26 98.61 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.12 0.568 . . . . 0.0 110.247 174.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -58.76 -49.66 76.81 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 124.162 0.914 . . . . 0.0 111.475 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.34 -38.34 89.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.453 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -66.52 -36.1 81.87 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.21 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -63.98 -18.24 64.09 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.989 0.516 . . . . 0.0 111.521 -173.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 27' ' ' ARG . 10.4 mm100 -71.31 -13.24 61.82 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.623 1.169 . . . . 0.0 112.581 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.4 p -73.83 -11.61 60.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.984 0.514 . . . . 0.0 110.972 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -120.79 38.0 4.15 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.362 1.065 . . . . 0.0 108.666 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' HB2' ' HA ' ' A' ' 24' ' ' GLN . 6.6 tpp180 -104.88 -20.29 13.62 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.119 0.568 . . . . 0.0 110.515 -168.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.4 -175.89 52.57 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 119.301 -0.721 . . . . 0.0 111.386 -169.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.78 124.29 15.5 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 123.385 2.724 . . . . 0.0 112.271 173.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.68 151.88 37.94 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.783 0.833 . . . . 0.0 110.902 -171.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt 73.06 -57.7 0.63 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.09 1.756 . . . . 0.0 112.409 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -74.37 -170.73 1.04 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.368 0.667 . . . . 0.0 111.546 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.428 ' HE1' ' HE ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -141.49 86.76 2.03 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.644 0.777 . . . . 0.0 109.772 -169.452 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 51.4 ttm -110.05 129.82 55.63 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 12.2 t -74.49 121.99 86.5 Favored Pre-proline 0 CA--C 1.56 1.332 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.964 -177.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -46.06 -41.19 21.25 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 124.381 3.388 . . . . 0.0 116.291 -174.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.1 mt -91.98 -53.91 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.526 ' SG ' ' HG3' ' A' ' 40' ' ' GLU . 6.5 p -104.63 -19.62 13.91 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -167.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.424 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 73.1 18.13 79.03 Favored Glycine 0 C--N 1.347 1.144 0 N-CA-C 116.055 1.182 . . . . 0.0 116.055 173.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HG3' ' SG ' ' A' ' 38' ' ' CYS . 51.3 mt-10 -67.16 127.87 34.23 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 117.284 0.542 . . . . 0.0 111.139 173.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.428 ' HE ' ' HE1' ' A' ' 33' ' ' TYR . 2.1 tmt_? -87.18 135.44 33.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.655 1.182 . . . . 0.0 109.938 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -121.69 160.21 47.51 Favored Pre-proline 0 N--CA 1.483 1.182 0 C-N-CA 124.54 1.136 . . . . 0.0 109.836 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -56.8 -26.08 64.59 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 123.26 2.64 . . . . 0.0 113.564 -175.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.6 m -146.13 162.52 37.78 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.23 0.612 . . . . 0.0 110.105 -177.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.6 tp -88.85 54.43 3.01 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 122.649 1.214 . . . . 0.0 108.056 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 45.3 tp -150.45 -53.39 0.15 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -61.76 -33.97 75.02 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.62 168.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.33 -43.18 99.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.204 1.002 . . . . 0.0 109.937 172.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 m -65.62 -45.28 83.7 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.974 0.91 . . . . 0.0 111.187 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 13.3 mm-40 -55.22 -46.11 75.93 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.301 1.04 . . . . 0.0 110.845 175.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -66.9 -40.24 87.66 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 123.772 0.67 . . . . 0.0 110.932 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.78 -46.14 86.55 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.066 0.946 . . . . 0.0 110.781 -169.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.36 -31.88 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 122.848 0.459 . . . . 0.0 111.609 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -87.64 21.36 2.6 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.696 172.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.18 -161.45 26.77 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 123.847 0.717 . . . . 0.0 112.615 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 p -91.65 98.72 11.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 122.346 1.07 . . . . 0.0 108.61 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -117.84 100.89 7.88 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 113.647 -1.615 . . . . 0.0 111.268 171.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -144.35 130.72 19.79 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.441 167.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.0 t -89.04 104.8 17.32 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 165.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -51.56 -44.84 62.83 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.575 1.15 . . . . 0.0 112.547 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.89 -44.75 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.997 -173.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.1 m -81.52 -31.62 32.71 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.516 0.726 . . . . 0.0 111.588 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 m 77.46 8.59 2.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.137 1.775 . . . . 0.0 110.923 -171.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -117.15 -158.83 0.71 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.771 1.228 . . . . 0.0 109.474 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -164.24 177.44 8.32 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.127 0.489 . . . . 0.0 112.189 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -97.78 146.64 25.2 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 164.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -79.35 18.03 0.75 Allowed 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 118.823 0.738 . . . . 0.0 112.185 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -147.22 147.69 30.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.236 1.415 . . . . 0.0 108.173 169.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 2.5 mp0 -68.84 -48.2 64.11 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.813 0.845 . . . . 0.0 112.364 -168.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.65 -27.95 65.47 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.911 0.484 . . . . 0.0 110.213 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.1 -36.53 56.54 Favored Glycine 0 C--N 1.348 1.24 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.283 176.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.71 -41.29 96.09 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.799 0.84 . . . . 0.0 110.642 173.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 31.7 mmm180 -58.76 -37.09 75.48 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.871 0.732 . . . . 0.0 111.505 173.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.61 -38.85 74.0 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.564 0.746 . . . . 0.0 110.633 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -63.49 -37.81 88.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.336 1.054 . . . . 0.0 110.824 177.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.37 -28.8 63.5 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.871 1.268 . . . . 0.0 112.102 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.7 -20.34 66.26 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.775 0.83 . . . . 0.0 113.054 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.6 p -71.41 -25.85 62.51 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.945 0.498 . . . . 0.0 111.017 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -91.69 -4.91 54.59 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.529 0.732 . . . . 0.0 111.124 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -82.85 -13.15 56.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.543 168.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.08 163.99 22.09 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.7 119.89 7.24 Favored 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.41 2.073 . . . . 0.0 110.585 172.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.59 87.8 1.52 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.553 0.741 . . . . 0.0 109.498 -173.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -154.13 69.42 0.78 Allowed 'General case' 0 C--O 1.245 0.822 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -79.04 151.03 31.71 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.33 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.441 ' HA ' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -126.84 89.12 2.93 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -176.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.1 ttp -125.41 127.44 46.55 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.089 -171.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.638 ' HB3' ' H ' ' A' ' 39' ' ' GLY . 34.6 t -83.31 126.46 71.77 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-O 118.988 -0.529 . . . . 0.0 110.312 173.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -47.14 -52.8 7.24 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 123.033 2.489 . . . . 0.0 114.024 167.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.4 mt -72.08 -55.91 11.83 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.13 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -172.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -44.45 4.01 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 118.313 0.506 . . . . 0.0 111.647 -173.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.638 ' H ' ' HB3' ' A' ' 35' ' ' CYS . . . 91.65 31.35 9.51 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 115.078 0.791 . . . . 0.0 115.078 166.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -78.71 164.62 24.43 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.646 0.778 . . . . 0.0 111.665 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -115.09 138.42 50.91 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.141 0.976 . . . . 0.0 109.297 -175.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -124.37 161.69 46.37 Favored Pre-proline 0 N--CA 1.479 0.975 0 C-N-CA 124.035 0.934 . . . . 0.0 109.784 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -47.12 -27.66 6.61 Favored 'Trans proline' 0 C--N 1.391 2.811 0 C-N-CA 123.973 3.115 . . . . 0.0 114.748 -176.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -156.31 179.59 9.09 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.498 0.666 . . . . 0.0 111.033 175.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 33' ' ' TYR . 28.6 tp -87.15 36.48 0.73 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.854 1.262 . . . . 0.0 110.06 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 3.4 mm? -130.42 -52.53 1.09 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 -174.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.1 p -64.28 -29.97 71.04 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.328 170.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.0 -34.5 78.24 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.602 0.761 . . . . 0.0 110.457 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 m -72.09 -36.57 69.54 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.716 0.806 . . . . 0.0 110.879 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 20.5 mm-40 -60.28 -34.93 74.44 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.321 172.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -71.46 -34.11 69.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.184 0.593 . . . . 0.0 111.826 174.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -60.52 -39.05 86.38 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.404 0.682 . . . . 0.0 111.607 -173.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.8 m -79.12 -29.66 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.4 p -81.25 21.93 0.71 Allowed 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m80 . . . . . 0 C--O 1.251 1.144 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 165.936 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 mmt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -57.2 92.74 0.03 OUTLIER Glycine 0 C--N 1.352 1.461 0 O-C-N 123.892 0.745 . . . . 0.0 114.344 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -95.7 97.12 9.47 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 172.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.413 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 72.5 m-70 -89.54 69.37 7.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 113.553 -1.658 . . . . 0.0 110.363 -177.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -103.2 123.8 47.41 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 168.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 43.7 t -81.42 89.07 6.1 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.601 0.36 . . . . 0.0 110.354 -175.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -55.27 -31.81 61.86 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -54.36 -56.29 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 123.988 0.915 . . . . 0.0 111.798 -173.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.53 -26.87 14.28 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.253 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 m 91.54 17.76 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 126.896 2.078 . . . . 0.0 112.33 172.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 6' ' ' CYS . 61.0 mmt-85 -102.35 174.27 5.99 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.556 0.743 . . . . 0.0 111.558 176.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -137.69 165.91 25.23 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.725 0.774 . . . . 0.0 112.737 -171.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 4' ' ' HIS . 32.7 p90 -79.03 -174.72 4.2 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.494 1.518 . . . . 0.0 113.454 -175.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -120.52 -53.45 2.11 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 175.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -118.19 163.37 16.75 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.884 1.274 . . . . 0.0 109.223 170.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.73 -43.18 80.39 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -168.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -70.41 -18.25 63.02 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.152 0.581 . . . . 0.0 111.067 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.1 -45.69 95.54 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.441 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HG ' ' HB3' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -65.5 -43.04 91.38 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 30.1 mmm180 -58.25 -53.61 56.29 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 124.526 1.141 . . . . 0.0 111.396 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -56.35 -48.92 75.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.409 1.084 . . . . 0.0 110.835 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -59.89 -33.77 72.28 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.961 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 tp -74.16 -32.44 63.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 111.508 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 20' ' ' ARG . 94.7 mt-30 -78.81 -38.29 38.61 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.252 0.621 . . . . 0.0 110.152 -178.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.9 p -79.4 -3.49 46.63 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.952 0.901 . . . . 0.0 111.875 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.49 2.37 0.43 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -68.34 -20.08 64.7 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 118.418 0.554 . . . . 0.0 110.667 176.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.86 -166.52 42.22 Favored Glycine 0 C--N 1.357 1.736 0 CA-C-O 119.718 -0.49 . . . . 0.0 113.237 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -87.35 141.54 5.84 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 123.113 2.542 . . . . 0.0 114.14 -172.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.69 33.14 5.35 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.82 1.248 . . . . 0.0 108.247 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -81.81 146.56 29.84 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.43 1.492 . . . . 0.0 111.6 -169.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -101.6 122.13 43.28 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -79.94 115.48 19.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.192 0.597 . . . . 0.0 112.123 -164.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 35.9 ttm -97.5 144.96 26.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.184 1.394 . . . . 0.0 108.295 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.631 ' HA ' HD21 ' A' ' 48' ' ' LEU . 31.7 t -66.22 138.58 96.07 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -176.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -65.62 -50.4 1.84 Allowed 'Trans proline' 0 C--N 1.372 1.809 0 C-N-CA 122.651 2.234 . . . . 0.0 112.96 172.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.2 mt -78.01 -54.96 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -164.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.9 p -107.14 -40.61 5.38 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 118.046 0.385 . . . . 0.0 110.909 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 35' ' ' CYS . . . 99.32 39.74 3.41 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 116.922 1.529 . . . . 0.0 116.922 156.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.8 152.76 22.77 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 117.518 0.659 . . . . 0.0 110.469 166.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -88.05 139.7 30.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.904 0.881 . . . . 0.0 111.337 -172.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -123.17 151.71 62.48 Favored Pre-proline 0 N--CA 1.474 0.775 0 C-N-CA 123.876 0.87 . . . . 0.0 109.445 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.12 -41.22 76.62 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 123.067 2.512 . . . . 0.0 113.103 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.9 m -153.44 175.08 13.56 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.019 0.528 . . . . 0.0 110.339 -169.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.4 tp -85.68 56.98 4.21 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.008 0.923 . . . . 0.0 110.541 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -136.86 -56.07 0.73 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.4 p -68.99 -33.98 74.55 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.108 0.963 . . . . 0.0 111.206 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 35' ' ' CYS . 2.8 tm? -62.8 -44.33 96.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.155 0.582 . . . . 0.0 110.423 174.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.9 m -65.91 -41.82 90.97 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.462 0.705 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.63 -46.51 84.04 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.519 0.728 . . . . 0.0 110.384 175.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -66.67 -41.14 88.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.796 0.839 . . . . 0.0 111.974 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.47 -43.17 99.47 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.083 0.953 . . . . 0.0 112.209 -172.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.434 HG23 HG23 ' A' ' 54' ' ' THR . 29.8 m -77.98 -32.31 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 122.892 0.477 . . . . 0.0 111.921 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.434 HG23 HG23 ' A' ' 53' ' ' VAL . 70.5 p -94.5 35.35 1.22 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.955 0.902 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 . . . . . 0 CA--C 1.558 1.253 0 C-N-CA 122.797 0.439 . . . . 0.0 110.499 -165.62 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.23 166.8 8.08 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-O 118.944 -0.92 . . . . 0.0 111.452 163.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 m -72.38 93.74 1.55 Allowed 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 122.912 1.339 . . . . 0.0 110.435 -169.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -104.13 86.39 2.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 112.357 -2.201 . . . . 0.0 108.198 166.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -113.99 141.93 46.79 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.104 1.362 . . . . 0.0 108.865 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.7 t -83.82 109.78 17.82 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 167.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -35.09 79.53 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.399 0.68 . . . . 0.0 110.779 -177.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -57.56 -43.75 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 123.804 0.842 . . . . 0.0 111.562 -177.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.2 m -87.23 -31.27 20.38 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.65 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m 77.65 10.7 2.22 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 126.693 1.997 . . . . 0.0 111.157 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -110.73 -174.57 2.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.052 0.941 . . . . 0.0 110.37 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 t -140.81 170.41 15.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.586 0.755 . . . . 0.0 110.105 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.476 ' HD1' ' H ' ' A' ' 15' ' ' SER . 5.5 t80 -113.74 150.85 32.77 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.969 0.908 . . . . 0.0 109.126 175.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -59.58 -35.58 74.57 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.007 0.923 . . . . 0.0 111.677 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.476 ' H ' ' HD1' ' A' ' 13' ' ' PHE . 36.1 p -105.81 137.24 44.01 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 172.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.99 -28.03 60.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.41 0.284 . . . . 0.0 110.51 -175.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -75.55 -35.47 60.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.237 0.615 . . . . 0.0 109.435 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.54 -32.33 83.86 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.051 174.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.01 -43.9 90.99 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.995 0.918 . . . . 0.0 110.313 172.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.456 ' HD2' HD12 ' A' ' 23' ' ' LEU . 22.3 mmm180 -61.84 -34.79 76.6 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.881 0.872 . . . . 0.0 112.352 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -72.18 -38.69 69.05 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.614 0.721 . . . . 0.0 109.971 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -67.05 -30.32 70.36 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.761 1.224 . . . . 0.0 110.595 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD12 ' HD2' ' A' ' 20' ' ' ARG . 16.3 mt -61.35 -27.3 68.41 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.984 0.914 . . . . 0.0 112.415 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -77.94 -13.91 59.72 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.214 1.006 . . . . 0.0 111.583 -173.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.0 p -76.26 -4.24 40.9 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 123.378 0.671 . . . . 0.0 111.274 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -121.74 -2.12 9.38 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.5 0.72 . . . . 0.0 111.166 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -56.44 -38.55 71.77 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.205 1.002 . . . . 0.0 111.986 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.6 -151.2 23.35 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-O 118.877 -0.957 . . . . 0.0 111.479 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 137.03 78.0 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.18 2.586 . . . . 0.0 111.148 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.63 -10.24 14.11 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.313 0.645 . . . . 0.0 112.128 -170.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -89.33 104.95 17.46 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 11.5 p80 -152.98 101.75 2.61 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -76.12 135.38 39.83 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 53.6 ttp -93.08 113.57 25.87 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.426 ' HB3' ' N ' ' A' ' 39' ' ' GLY . 19.6 t -59.8 127.47 85.32 Favored Pre-proline 0 CA--C 1.55 0.976 0 O-C-N 123.629 0.581 . . . . 0.0 111.558 -173.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -47.96 -48.36 16.5 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 123.65 2.9 . . . . 0.0 114.607 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.5 mt -84.7 -54.99 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.437 ' SG ' ' HG2' ' A' ' 40' ' ' GLU . 12.2 p -109.32 -7.16 15.28 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -166.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.426 ' N ' ' HB3' ' A' ' 35' ' ' CYS . . . 61.51 25.09 64.71 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 116.332 1.293 . . . . 0.0 116.332 173.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HG2' ' SG ' ' A' ' 38' ' ' CYS . 15.0 mm-40 -68.88 149.73 48.57 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.696 0.799 . . . . 0.0 111.368 169.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -93.4 124.62 37.51 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.917 0.887 . . . . 0.0 109.557 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 32' ' ' HIS . 41.3 m-85 -123.28 139.9 32.71 Favored Pre-proline 0 N--CA 1.481 1.11 0 C-N-CA 123.219 0.608 . . . . 0.0 109.793 174.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -67.1 -4.02 10.81 Favored 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 123.957 3.104 . . . . 0.0 114.168 -171.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 p -153.44 164.48 38.11 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.9 0.857 . . . . 0.0 111.108 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.79 42.75 1.1 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.035 -1.438 . . . . 0.0 109.445 170.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -145.03 -51.29 0.27 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 -170.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.9 p -62.34 -38.87 91.17 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.722 167.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.7 -37.36 86.23 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 123.689 0.618 . . . . 0.0 109.952 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.7 m -64.29 -41.25 96.97 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.403 0.681 . . . . 0.0 110.907 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' HG22 ' A' ' 54' ' ' THR . 41.2 mt-10 -64.75 -42.93 94.78 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.873 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -65.41 -44.56 87.06 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.433 1.093 . . . . 0.0 112.572 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -66.21 -33.89 76.77 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.39 0.676 . . . . 0.0 112.398 -171.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.82 -30.45 21.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 C-N-CA 122.595 0.358 . . . . 0.0 111.816 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 50' ' ' GLU . 15.2 t -102.72 34.54 2.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.105 0.962 . . . . 0.0 110.555 -178.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 . . . . . 0 CA--C 1.557 1.24 0 C-N-CA 123.126 0.57 . . . . 0.0 111.135 -162.887 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 mtm . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.45 ' HA2' ' H ' ' A' ' 16' ' ' GLU . . . 67.64 39.51 90.54 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 113.052 175.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -158.67 107.17 1.92 Allowed 'General case' 0 C--N 1.346 0.452 0 C-N-CA 122.647 0.379 . . . . 0.0 110.294 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -129.5 161.23 30.91 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 167.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -90.19 126.37 35.79 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.58 0.627 . . . . 0.0 110.064 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 t -87.33 86.69 7.28 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 170.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -11.22 -64.91 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 127.391 2.276 . . . . 0.0 115.982 -177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.1 t -64.37 -54.21 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.081 0.953 . . . . 0.0 111.312 -175.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.4 m -58.3 -43.1 87.92 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.792 0.837 . . . . 0.0 111.803 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 m 67.71 15.41 9.68 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.367 1.467 . . . . 0.0 111.232 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -117.09 176.75 4.99 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.936 1.295 . . . . 0.0 108.894 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -133.17 154.25 50.8 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.967 0.907 . . . . 0.0 110.447 -172.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -100.83 149.26 24.03 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.707 1.203 . . . . 0.0 109.216 172.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -53.57 -24.77 14.64 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.834 0.854 . . . . 0.0 112.657 174.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.1 t -109.58 135.74 50.08 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 166.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' H ' ' HA2' ' A' ' 2' ' ' GLY . 9.6 pt-20 -79.47 -29.95 41.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.207 0.603 . . . . 0.0 110.276 176.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.87 -36.73 75.71 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.02 -29.92 62.02 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.258 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.12 -50.37 61.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.161 0.984 . . . . 0.0 110.618 172.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -58.73 -42.52 88.94 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.721 0.809 . . . . 0.0 111.701 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HA ' HE21 ' A' ' 24' ' ' GLN . 43.1 tt0 -60.19 -42.62 95.44 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.614 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -67.29 -38.34 84.88 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.515 1.126 . . . . 0.0 111.597 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.05 -35.32 76.6 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.971 0.908 . . . . 0.0 111.082 -171.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.461 HE21 ' HA ' ' A' ' 21' ' ' GLU . 39.8 mt-30 -69.22 -18.75 63.93 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.627 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.3 p -73.64 -8.67 56.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.061 0.545 . . . . 0.0 112.018 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -82.33 -24.73 34.44 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.148 0.499 . . . . 0.0 110.419 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -89.08 -29.56 19.32 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 165.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.22 151.81 12.24 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.209 -174.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -61.96 155.35 55.78 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.826 2.351 . . . . 0.0 112.152 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.3 53.02 1.42 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.261 0.553 . . . . 0.0 110.781 173.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.604 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 90.9 mttt -141.94 153.3 44.26 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.977 1.311 . . . . 0.0 109.492 -176.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 58.62 71.97 0.55 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.147 0.979 . . . . 0.0 110.77 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -117.51 122.35 43.49 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.793 -178.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.2 ttt -94.54 141.18 28.89 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' HD21 ' A' ' 48' ' ' LEU . 33.9 t -66.92 139.4 95.6 Favored Pre-proline 0 CA--C 1.552 1.031 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.55 -43.2 2.11 Favored 'Trans proline' 0 C--N 1.37 1.658 0 C-N-CA 122.099 1.866 . . . . 0.0 112.906 173.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.4 mt -78.39 -53.34 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -166.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.5 p -111.17 -39.62 4.69 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 118.148 0.431 . . . . 0.0 111.435 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.64 40.72 3.8 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 116.21 1.244 . . . . 0.0 116.21 158.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.54 160.13 17.6 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 117.479 0.639 . . . . 0.0 110.071 164.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -81.22 143.87 32.0 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.116 -177.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -130.75 148.4 70.0 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.24 1.016 . . . . 0.0 110.134 172.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.26 -22.25 53.63 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.941 2.428 . . . . 0.0 113.226 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.604 ' HA ' ' HA ' ' A' ' 31' ' ' LYS . 58.5 p -162.44 168.26 22.31 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -172.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 tp -86.78 57.27 4.41 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 122.704 1.24 . . . . 0.0 108.992 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -146.26 -51.05 0.22 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 105.52 -2.029 . . . . 0.0 105.52 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.0 p -72.57 -38.69 67.84 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.062 173.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 35' ' ' CYS . 3.2 tm? -61.53 -34.67 75.94 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.54 0.736 . . . . 0.0 110.207 170.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.5 m -63.98 -46.96 82.29 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.909 0.884 . . . . 0.0 111.346 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.12 -34.54 78.28 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.352 0.661 . . . . 0.0 110.59 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.27 -46.38 80.7 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.391 1.076 . . . . 0.0 111.142 173.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.79 -44.92 95.92 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.973 1.309 . . . . 0.0 113.527 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.51 -21.64 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -169.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.1 p -120.7 -57.54 1.89 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.227 0.611 . . . . 0.0 110.428 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 CA--C 1.559 1.315 0 C-N-CA 126.056 1.742 . . . . 0.0 112.255 178.245 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_