data_1gxv_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 1gxv _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' 2' 2 ' 1' ' ' LYS . . . . . 0.588 ' N ' ' OG1' ' 2' ' 40' ' ' THR . 3.9 tttt . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 109.087 -0.709 . . . . 42.789999999999999 109.087 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 2' ' ' VAL . . . . . 0.481 ' H ' ' HG2' ' 2' ' 1' ' ' LYS . 89.9 t -118.23 151.79 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.565 -0.709 . . . . 24.210000000000001 109.623 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -127.81 119.5 25.83 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.264 -0.898 . . . . 28.129999999999999 110.879 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.45 170.09 53.82 Favored Glycine 0 N--CA 1.5 2.926 0 N-CA-C 110.852 -0.899 . . . . 22.390000000000001 110.852 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 5' ' ' ARG . . . . . 0.659 ' NH1' ' O ' ' 2' ' 122' ' ' ALA . 0.0 OUTLIER -54.4 -56.58 17.25 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.229 -1.159 . . . . 27.859999999999999 110.72 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.56 -34.93 67.84 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.408 -1.433 . . . . 19.640000000000001 110.159 -178.02 -87.135 19.959 -122.081 104.019 2.022 104.776 -62.16 -67.596 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 7' ' ' GLU . . . . . 0.582 ' OE2' ' NZ ' ' 2' ' 1' ' ' LYS . 33.7 tt0 -60.53 -51.64 68.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.584 -1.323 . . . . 23.039999999999999 107.827 176.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 tp -60.52 -43.87 96.66 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.846 -0.534 . . . . 16.699999999999999 110.143 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.97 90.38 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.88 -1.137 . . . . 17.620000000000001 109.252 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -49.0 77.5 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.797 . . . . 16.359999999999999 109.432 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 11' ' ' ALA . . . . . 0.511 ' O ' ' ND1' ' 2' ' 15' ' ' HIS . . . -60.06 -50.35 74.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.417 -0.802 . . . . 19.059999999999999 109.418 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.06 -31.55 65.32 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.279 -0.888 . . . . 19.460000000000001 109.846 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 13' ' ' LYS . . . . . 0.684 ' NZ ' ' O ' ' 2' ' 129' ' ' LEU . 2.3 ttmt -74.62 -48.22 27.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.132 -0.98 . . . . 47.700000000000003 109.044 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 14' ' ' ARG . . . . . 0.577 ' NH1' ' CE1' ' 2' ' 15' ' ' HIS . 5.2 tmm_? -57.28 -29.24 63.71 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.131 -0.692 . . . . 57.229999999999997 109.131 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 15' ' ' HIS . . . . . 0.615 ' O ' ' NZ ' ' 2' ' 96' ' ' LYS . 79.2 m80 -85.65 -18.31 33.59 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.595 -0.691 . . . . 36.149999999999999 110.056 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 16' ' ' GLY . . . . . 0.564 ' O ' ' NZ ' ' 2' ' 96' ' ' LYS . . . 79.42 46.48 8.02 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 108.227 -1.949 . . . . 28.710000000000001 108.227 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 17' ' ' LEU . . . . . 0.483 ' HA ' ' HB2' ' 2' ' 20' ' ' TYR . 3.3 mt -102.37 -26.1 13.41 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.876 -0.779 . . . . 25.440000000000001 109.112 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -61.75 114.87 3.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.186 -0.946 . . . . 33.420000000000002 109.717 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 19' ' ' ASN . . . . . 0.567 ' H ' ' HA ' ' 2' ' 24' ' ' SER . 8.2 m-80 71.33 13.94 6.55 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.132 -0.692 . . . . 46.990000000000002 109.132 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 20' ' ' TYR . . . . . 0.626 ' CZ ' ' NH1' ' 2' ' 21' ' ' ARG . 33.6 t80 -58.51 116.76 3.87 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.843 -1.169 . . . . 23.469999999999999 107.843 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 21' ' ' ARG . . . . . 0.626 ' NH1' ' CZ ' ' 2' ' 20' ' ' TYR . 0.0 OUTLIER 56.49 17.3 2.91 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.402 -0.962 . . . . 74.140000000000001 108.402 -177.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.2 -20.2 43.62 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.293 -1.123 . . . . 19.98 110.293 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.437 ' HB3' ' CE2' ' 2' ' 28' ' ' TRP . 16.3 m-85 -66.98 90.89 0.19 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.114 -1.227 . . . . 13.619999999999999 110.228 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 24' ' ' SER . . . . . 0.567 ' HA ' ' H ' ' 2' ' 19' ' ' ASN . 12.7 p -68.25 159.82 30.49 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.028 -1.045 . . . . 18.0 110.446 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.49 -32.97 29.4 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.31 -0.869 . . . . 28.289999999999999 109.858 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.86 -40.61 81.55 Favored Glycine 0 N--CA 1.504 3.214 0 N-CA-C 109.605 -1.398 . . . . 13.1 109.605 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -69.26 -47.95 63.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.578 -0.954 . . . . 20.359999999999999 108.735 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 28' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' 2' ' 23' ' ' TYR . 57.2 m95 -61.13 -53.82 52.26 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 115.793 -0.639 . . . . 16.41 110.203 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 29' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' 2' ' 123' ' ' TRP . 93.0 t -61.53 -52.43 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.147 -0.971 . . . . 12.949999999999999 110.184 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 30' ' ' CYS . . . . . . . . . . . . . 47.5 t -49.59 -51.62 36.01 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.876 -1.14 . . . . 12.33 109.271 179.277 179.093 -101.412 -77.111 104.203 2.019 104.266 -78.964 -39.367 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.79 -58.06 10.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.766 -0.584 . . . . 16.32 109.964 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.05 78.79 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.787 -0.571 . . . . 13.4 110.779 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -49.48 -68.88 0.14 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.282 -0.886 . . . . 39.049999999999997 111.668 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 34' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -74.05 -19.53 60.59 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.153 -0.967 . . . . 22.600000000000001 111.374 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 35' ' ' GLU . . . . . 0.407 ' HG2' ' CB ' ' 2' ' 110' ' ' ALA . 16.2 mm-40 -75.76 -60.85 2.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.048 -1.032 . . . . 24.390000000000001 110.089 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 36' ' ' SER . . . . . . . . . . . . . 60.7 p -128.53 -2.05 5.5 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 121.312 -0.868 . . . . 18.359999999999999 110.578 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t30 63.75 38.38 9.26 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.261 -0.899 . . . . 37.380000000000003 109.304 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 60.4 56.6 3.11 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.558 -0.714 . . . . 15.630000000000001 109.506 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 39' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' 2' ' 41' ' ' GLN . 14.4 t-20 -133.9 132.25 40.06 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.563 -0.711 . . . . 12.630000000000001 110.605 -178.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 40' ' ' THR . . . . . 0.588 ' OG1' ' N ' ' 2' ' 1' ' ' LYS . 9.3 p -91.24 33.4 0.98 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.628 -1.295 . . . . 16.050000000000001 109.181 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 41' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' 2' ' 1' ' ' LYS . 1.9 mt-30 -143.05 -25.08 0.61 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.354 -0.841 . . . . 18.239999999999998 110.758 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.91 108.09 0.97 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.721 -1.237 . . . . 13.390000000000001 109.989 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 43' ' ' THR . . . . . . . . . . . . . 70.1 p -103.89 155.07 18.92 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.509 -0.745 . . . . 16.32 110.439 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.88 169.49 12.59 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.73 -0.606 . . . . 38.039999999999999 109.454 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 45' ' ' ARG . . . . . 0.481 ' HG3' ' N ' ' 2' ' 46' ' ' ASN . 10.8 tpp180 -132.22 144.88 50.95 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.45 -0.781 . . . . 48.469999999999999 111.189 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 46' ' ' ASN . . . . . 0.481 ' N ' ' HG3' ' 2' ' 45' ' ' ARG . 0.5 OUTLIER -117.86 141.95 47.85 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.925 -0.768 . . . . 31.77 108.925 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 47' ' ' THR . . . . . 0.417 ' O ' ' C ' ' 2' ' 48' ' ' ASP . 67.1 p -67.77 -42.69 81.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.54 -0.725 . . . . 39.75 110.954 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 48' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' 2' ' 47' ' ' THR . 1.6 p30 -39.76 -30.8 0.09 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.113 -0.992 . . . . 28.16 110.769 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 49' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' 2' ' 47' ' ' THR . . . 122.82 40.5 0.49 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.77 -1.732 . . . . 20.739999999999998 108.77 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 50' ' ' SER . . . . . . . . . . . . . 59.8 p -141.36 178.91 7.1 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.918 0.866 . . . . 13.49 110.259 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 51' ' ' THR . . . . . 0.434 HG21 ' N ' ' 2' ' 52' ' ' ASP . 94.8 m -149.89 149.95 31.2 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.362 -0.836 . . . . 10.65 108.977 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 52' ' ' ASP . . . . . 0.434 ' N ' HG21 ' 2' ' 51' ' ' THR . 0.0 OUTLIER -111.62 132.56 54.48 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.59 -0.844 . . . . 25.93 110.494 -179.076 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 53' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' 2' ' 53' ' ' TYR . 1.7 m-85 -128.73 154.67 46.12 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.879 -1.156 . . . . 17.469999999999999 107.879 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 54' ' ' GLY . . . . . 0.414 ' H ' HD23 ' 2' ' 84' ' ' LEU . . . 113.32 138.93 7.2 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 110.294 -1.122 . . . . 11.039999999999999 110.294 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 55' ' ' ILE . . . . . . . . . . . . . 14.4 tt -42.14 -47.76 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.34 -1.094 . . . . 25.600000000000001 111.951 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.34 8.29 19.27 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.298 -0.876 . . . . 19.100000000000001 111.039 -178.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 64.7 112.53 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.572 -0.705 . . . . 16.210000000000001 109.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 58' ' ' ILE . . . . . 0.707 HG23 ' SG ' ' 2' ' 64' ' ' CYS . 0.8 OUTLIER -132.85 114.95 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 108.396 -0.965 . . . . 15.94 108.396 -179.704 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 59' ' ' ASN . . . . . 0.51 ' OD1' ' HB3' ' 2' ' 61' ' ' ARG . 20.7 t-20 -61.68 138.51 58.32 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.599 0.714 . . . . 23.219999999999999 110.905 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 60' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' 2' ' 64' ' ' CYS . 85.3 p -85.01 19.93 2.01 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 116.192 -0.458 . . . . 18.039999999999999 111.275 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 61' ' ' ARG . . . . . 0.51 ' HB3' ' OD1' ' 2' ' 59' ' ' ASN . 5.2 tpp180 -119.02 -36.16 3.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.161 -0.962 . . . . 73.370000000000005 110.237 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 62' ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' 2' ' 75' ' ' LEU . 1.6 m95 -117.37 -28.46 6.12 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.285 0.564 . . . . 59.299999999999997 110.366 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 63' ' ' TRP . . . . . 0.486 ' HB2' HG21 ' 2' ' 58' ' ' ILE . 3.0 m95 -98.04 -56.51 2.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.742 -1.224 . . . . 15.460000000000001 110.829 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 64' ' ' CYS . . . . . 0.707 ' SG ' HG23 ' 2' ' 58' ' ' ILE . 19.6 p -134.08 -168.45 2.13 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.903 -1.123 . . . . 15.43 111.329 -178.517 70.372 86.993 111.553 104.772 2.019 104.902 -70.193 -53.902 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 65' ' ' ASN . . . . . 0.672 ' N ' ' SG ' ' 2' ' 80' ' ' CYS . 31.9 t-20 -144.14 154.0 42.71 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.037 -1.039 . . . . 37.229999999999997 108.859 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 66' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' 2' ' 65' ' ' ASN . 9.7 p30 -121.2 -12.83 8.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.737 . . . . 20.43 110.516 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.71 -3.01 67.59 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.213 -1.155 . . . . 30.149999999999999 110.213 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 68' ' ' ARG . . . . . 0.451 ' NE ' ' OH ' ' 2' ' 53' ' ' TYR . 5.5 ptt180 -122.39 -21.47 5.78 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.619 -0.93 . . . . 27.98 109.516 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 69' ' ' THR . . . . . 0.434 ' HG1' ' CG ' ' 2' ' 66' ' ' ASP . 98.7 m -54.81 119.18 20.15 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.159 -0.963 . . . . 24.109999999999999 109.454 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 70' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -59.5 75.2 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.466 2.111 . . . . 40.630000000000003 112.284 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 71' ' ' GLY . . . . . 0.446 ' O ' ' CD ' ' 2' ' 61' ' ' ARG . . . 92.36 100.19 1.39 Allowed Glycine 0 N--CA 1.499 2.884 0 N-CA-C 109.405 -1.478 . . . . 44.289999999999999 109.405 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 72' ' ' SER . . . . . 0.507 ' HB3' ' ND2' ' 2' ' 65' ' ' ASN . 11.4 t -134.25 149.88 50.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 122.003 -0.704 . . . . 40.32 109.707 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 73' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' 2' ' 74' ' ' ASN . 0.1 OUTLIER -96.3 -53.89 3.46 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.108 -0.995 . . . . 104.61 110.82 -178.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 74' ' ' ASN . . . . . 0.551 HD21 ' CB ' ' 2' ' 65' ' ' ASN . 4.7 t-20 78.91 103.55 0.07 Allowed 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 121.474 0.654 . . . . 22.140000000000001 110.432 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 75' ' ' LEU . . . . . 0.461 ' N ' ' CD1' ' 2' ' 75' ' ' LEU . 5.4 mp -104.67 -8.92 18.55 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.442 -0.947 . . . . 26.600000000000001 108.442 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 76' ' ' CYS . . . . . 0.545 ' O ' ' NZ ' ' 2' ' 97' ' ' LYS . 6.0 t -97.13 -11.02 24.86 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.189 -0.944 . . . . 20.77 109.355 -179.988 -159.528 166.173 150.237 103.717 2.022 104.994 60.093 176.455 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 77' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' 2' ' 77' ' ' ASN . 0.4 OUTLIER 54.32 43.28 30.72 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 108.64 -0.874 . . . . 66.950000000000003 108.64 -178.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 78' ' ' ILE . . . . . 0.406 HG23 HD11 ' 2' ' 78' ' ' ILE . 0.1 OUTLIER -143.3 147.49 40.56 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.611 -0.68 . . . . 29.77 109.355 -179.216 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 79' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.33 126.05 10.11 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.786 2.324 . . . . 24.41 111.362 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 80' ' ' CYS . . . . . 0.672 ' SG ' ' N ' ' 2' ' 65' ' ' ASN . 56.4 m -53.63 -51.51 62.85 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.449 -0.782 . . . . 14.140000000000001 111.704 -178.829 -53.902 -70.193 111.553 104.902 2.019 104.772 86.993 70.372 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -45.13 -41.24 7.77 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.202 -0.937 . . . . 20.77 110.677 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.34 -22.36 53.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.831 -1.168 . . . . 18.66 110.712 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 83' ' ' LEU . . . . . . . . . . . . . 44.2 mt -70.56 -7.74 46.17 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.886 -1.134 . . . . 19.699999999999999 110.165 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 84' ' ' LEU . . . . . 0.414 HD23 ' H ' ' 2' ' 54' ' ' GLY . 67.8 mt -102.48 19.49 18.84 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.386 -0.821 . . . . 20.129999999999999 110.603 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -61.59 163.85 6.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.107 -0.996 . . . . 21.559999999999999 110.576 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 86' ' ' SER . . . . . . . . . . . . . 67.3 p -68.24 -9.22 45.69 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.383 -0.823 . . . . 28.219999999999999 109.385 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 87' ' ' ASP . . . . . 0.49 ' CG ' ' HG1' ' 2' ' 89' ' ' THR . 14.8 t0 -119.63 131.84 55.56 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.231 -0.918 . . . . 34.939999999999998 109.754 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 88' ' ' ILE . . . . . . . . . . . . . 22.1 pt -60.36 -10.69 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.978 -1.077 . . . . 21.670000000000002 109.024 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 89' ' ' THR . . . . . 0.546 ' OG1' ' NH1' ' 2' ' 14' ' ' ARG . 69.5 m -49.12 -41.81 37.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.595 -0.691 . . . . 19.350000000000001 110.194 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.53 -61.53 2.53 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.978 -1.076 . . . . 18.440000000000001 110.159 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 91' ' ' SER . . . . . . . . . . . . . 29.9 m -61.19 -47.11 87.66 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.597 -0.689 . . . . 18.57 110.525 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 92' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.08 -39.74 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.983 -1.073 . . . . 25.199999999999999 110.038 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.39 -48.97 77.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.151 -0.968 . . . . 42.640000000000001 109.318 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 94' ' ' CYS . . . . . 0.482 ' SG ' ' CD1' ' 2' ' 98' ' ' ILE . 44.6 t -67.38 -41.17 85.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.856 -1.153 . . . . 13.539999999999999 108.835 179.071 176.455 60.093 150.237 104.994 2.022 103.717 166.173 -159.528 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.14 74.94 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.527 -0.733 . . . . 14.15 109.09 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 96' ' ' LYS . . . . . 0.615 ' NZ ' ' O ' ' 2' ' 15' ' ' HIS . 28.2 mttt -58.17 -21.56 47.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.539 -0.726 . . . . 21.23 110.002 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 97' ' ' LYS . . . . . 0.545 ' NZ ' ' O ' ' 2' ' 76' ' ' CYS . 1.7 ttpm? -91.53 -48.26 6.96 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.213 -1.032 . . . . 62.530000000000001 108.213 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 98' ' ' ILE . . . . . 0.492 ' C ' ' H ' ' 2' ' 100' ' ' SER . 65.7 mt -59.8 -43.95 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.773 -0.579 . . . . 20.68 109.611 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.18 45.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.06 -1.025 . . . . 19.91 109.755 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 100' ' ' SER . . . . . 0.616 ' OG ' ' NH2' ' 2' ' 21' ' ' ARG . 2.5 m -154.69 19.56 0.46 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.097 -1.002 . . . . 23.460000000000001 109.218 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 101' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' 2' ' 102' ' ' GLY . 17.3 p-10 -87.15 -52.3 5.5 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 122.236 1.017 . . . . 42.049999999999997 108.951 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 102' ' ' GLY . . . . . 0.507 ' H ' ' CG ' ' 2' ' 101' ' ' ASP . . . 157.46 -33.08 0.54 Allowed Glycine 0 N--CA 1.487 2.096 0 N-CA-C 107.855 -2.098 . . . . 26.66 107.855 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 103' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -87.03 -26.35 23.78 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.641 -0.917 . . . . 54.109999999999999 108.921 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 104' ' ' GLY . . . . . . . . . . . . . . . 59.52 -123.3 32.88 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.056 -1.218 . . . . 15.800000000000001 110.056 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 105' ' ' MET . . . . . 0.453 ' C ' ' H ' ' 2' ' 107' ' ' ALA . 9.8 mtp -97.54 9.58 42.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.021 -1.282 . . . . 17.5 110.594 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 106' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -72.41 48.38 0.18 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.011 -1.055 . . . . 14.050000000000001 109.19 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 107' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' 2' ' 105' ' ' MET . . . -143.98 -53.52 0.34 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.68 -0.638 . . . . 17.449999999999999 109.528 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 108' ' ' TRP . . . . . . . . . . . . . 15.8 m-90 -47.73 122.32 4.82 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 121.876 0.846 . . . . 23.02 110.017 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 109' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.48 -43.62 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.563 -0.711 . . . . 31.469999999999999 111.893 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 110' ' ' ALA . . . . . 0.407 ' CB ' ' HG2' ' 2' ' 35' ' ' GLU . . . -61.92 -64.7 0.85 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.64 -1.287 . . . . 13.460000000000001 110.431 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 111' ' ' TRP . . . . . 0.574 ' HA ' ' SG ' ' 2' ' 115' ' ' CYS . 58.4 t90 -52.59 -47.83 66.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.429 -0.794 . . . . 16.460000000000001 110.528 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 112' ' ' ARG . . . . . 0.483 ' CB ' ' CZ ' ' 2' ' 112' ' ' ARG . 0.0 OUTLIER -38.3 -47.82 1.25 Allowed 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 112.839 0.681 . . . . 44.850000000000001 112.839 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.72 -29.51 3.41 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.406 -1.434 . . . . 19.550000000000001 112.399 -177.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 114' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -77.21 -17.69 58.3 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.897 -1.127 . . . . 22.800000000000001 109.657 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 115' ' ' CYS . . . . . 0.574 ' SG ' ' HA ' ' 2' ' 111' ' ' TRP . 3.8 m -127.21 -52.77 1.4 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.413 -0.804 . . . . 16.550000000000001 110.426 -179.746 -39.367 -78.964 -77.111 104.266 2.019 104.203 -101.412 179.093 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 116' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -65.06 61.88 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.282 -0.886 . . . . 13.76 109.548 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 117' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' 2' ' 115' ' ' CYS . . . 148.87 6.6 0.22 Allowed Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.756 -0.938 . . . . 28.98 110.756 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 118' ' ' THR . . . . . . . . . . . . . 66.5 p -116.79 -107.79 0.37 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.16 -1.2 . . . . 21.239999999999998 109.781 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 119' ' ' ASP . . . . . 0.558 ' O ' ' NE1' ' 2' ' 123' ' ' TRP . 0.2 OUTLIER -134.19 155.18 50.58 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.335 -0.853 . . . . 45.649999999999999 109.386 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 120' ' ' VAL . . . . . 0.415 ' HA ' ' CD1' ' 2' ' 123' ' ' TRP . 17.1 m -123.82 24.08 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.378 -0.826 . . . . 23.640000000000001 109.974 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 121' ' ' GLN . . . . . 0.534 ' H ' ' CG ' ' 2' ' 119' ' ' ASP . 34.2 mt-30 -114.64 -38.85 3.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.404 -0.81 . . . . 77.719999999999999 110.046 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 122' ' ' ALA . . . . . 0.659 ' O ' ' NH1' ' 2' ' 5' ' ' ARG . . . -59.32 -10.33 2.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.273 -0.892 . . . . 25.469999999999999 110.357 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 123' ' ' TRP . . . . . 0.558 ' NE1' ' O ' ' 2' ' 119' ' ' ASP . 0.9 OUTLIER -102.05 -0.24 33.85 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.277 -0.889 . . . . 23.510000000000002 110.164 -179.711 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 124' ' ' ILE . . . . . 0.523 ' O ' ' C ' ' 2' ' 125' ' ' ARG . 2.9 pt -133.6 -30.37 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.479 -0.763 . . . . 24.41 109.697 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 125' ' ' ARG . . . . . 0.594 ' O ' ' NH2' ' 2' ' 5' ' ' ARG . 4.8 mmt180 -32.89 123.79 0.37 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.216 -0.927 . . . . 107.61 109.978 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 126' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' 2' ' 128' ' ' ARG . . . 109.28 -67.1 0.23 Allowed Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.903 -1.279 . . . . 29.350000000000001 109.903 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 127' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' 2' ' 129' ' ' LEU . 84.7 m -67.08 59.4 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.319 -1.106 . . . . 21.359999999999999 109.081 179.36 -67.596 -62.16 -122.081 104.776 2.022 104.019 19.959 -87.135 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 128' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' 2' ' 126' ' ' GLY . 0.3 OUTLIER -65.66 59.68 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.794 0.807 . . . . 75.780000000000001 109.773 -177.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 129' ' ' LEU . . . . . 0.684 ' O ' ' NZ ' ' 2' ' 13' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.294 -1.831 0 CA-C-O 117.439 -1.267 . . . . 66.939999999999998 108.244 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' 2' 2 ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' 2' 2 ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' 2' 2 ' 133' ' ' HOH . . . . . 0.527 ' O ' ' N ' ' 2' ' 74' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' 2' 2 ' 1' ' ' LYS . . . . . 0.582 ' NZ ' ' OE2' ' 2' ' 7' ' ' GLU . 3.9 tttt . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 109.087 -0.709 . . . . 42.789999999999999 109.087 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 2' ' ' VAL . . . . . 0.441 ' H ' ' HG2' ' 2' ' 1' ' ' LYS . 89.9 t -118.23 151.79 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.565 -0.709 . . . . 24.210000000000001 109.623 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -127.81 119.5 25.83 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.264 -0.898 . . . . 28.129999999999999 110.879 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.45 170.09 53.82 Favored Glycine 0 N--CA 1.5 2.926 0 N-CA-C 110.852 -0.899 . . . . 22.390000000000001 110.852 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 5' ' ' ARG . . . . . 0.659 ' NH1' ' O ' ' 2' ' 122' ' ' ALA . 0.0 OUTLIER -54.4 -56.58 17.25 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.229 -1.159 . . . . 27.859999999999999 110.72 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.56 -34.93 67.84 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.408 -1.433 . . . . 19.640000000000001 110.159 -178.02 -87.135 19.959 -122.081 104.019 2.022 104.776 -62.16 -67.596 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 7' ' ' GLU . . . . . 0.582 ' OE2' ' NZ ' ' 2' ' 1' ' ' LYS . 33.7 tt0 -60.53 -51.64 68.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.584 -1.323 . . . . 23.039999999999999 107.827 176.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 8' ' ' LEU . . . . . 0.425 HD23 HG22 ' 2' ' 29' ' ' VAL . 20.7 tp -60.52 -43.87 96.66 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.846 -0.534 . . . . 16.699999999999999 110.143 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.97 90.38 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.88 -1.137 . . . . 17.620000000000001 109.252 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -49.0 77.5 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.797 . . . . 16.359999999999999 109.432 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 11' ' ' ALA . . . . . 0.511 ' O ' ' ND1' ' 2' ' 15' ' ' HIS . . . -60.06 -50.35 74.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.417 -0.802 . . . . 19.059999999999999 109.418 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 12' ' ' MET . . . . . 0.469 ' SD ' HD13 ' 2' ' 17' ' ' LEU . 0.6 OUTLIER -57.06 -31.55 65.32 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.279 -0.888 . . . . 19.460000000000001 109.846 179.57 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 13' ' ' LYS . . . . . 0.684 ' NZ ' ' O ' ' 2' ' 129' ' ' LEU . 2.3 ttmt -74.62 -48.22 27.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.132 -0.98 . . . . 47.700000000000003 109.044 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 14' ' ' ARG . . . . . 0.577 ' NH1' ' CE1' ' 2' ' 15' ' ' HIS . 5.2 tmm_? -57.28 -29.24 63.71 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.131 -0.692 . . . . 57.229999999999997 109.131 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 15' ' ' HIS . . . . . 0.725 ' HB3' HG11 ' 2' ' 92' ' ' VAL . 79.2 m80 -85.65 -18.31 33.59 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.595 -0.691 . . . . 36.149999999999999 110.056 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 16' ' ' GLY . . . . . 0.564 ' O ' ' NZ ' ' 2' ' 96' ' ' LYS . . . 79.42 46.48 8.02 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 108.227 -1.949 . . . . 28.710000000000001 108.227 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 17' ' ' LEU . . . . . 0.717 HD22 ' CE2' ' 2' ' 28' ' ' TRP . 3.3 mt -102.37 -26.1 13.41 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.876 -0.779 . . . . 25.440000000000001 109.112 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -61.75 114.87 3.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.186 -0.946 . . . . 33.420000000000002 109.717 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 19' ' ' ASN . . . . . 0.647 ' H ' ' HA ' ' 2' ' 24' ' ' SER . 6.3 m120 71.33 13.94 6.55 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.132 -0.692 . . . . 46.990000000000002 109.132 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 20' ' ' TYR . . . . . 0.626 ' CZ ' ' NH1' ' 2' ' 21' ' ' ARG . 33.6 t80 -58.51 116.76 3.87 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.843 -1.169 . . . . 23.469999999999999 107.843 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 21' ' ' ARG . . . . . 0.626 ' NH1' ' CZ ' ' 2' ' 20' ' ' TYR . 0.0 OUTLIER 56.49 17.3 2.91 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.402 -0.962 . . . . 74.140000000000001 108.402 -177.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.2 -20.2 43.62 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.293 -1.123 . . . . 19.98 110.293 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.46 ' HB3' ' CE2' ' 2' ' 28' ' ' TRP . 16.3 m-85 -66.98 90.89 0.19 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.114 -1.227 . . . . 13.619999999999999 110.228 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 24' ' ' SER . . . . . 0.647 ' HA ' ' H ' ' 2' ' 19' ' ' ASN . 12.7 p -68.25 159.82 30.49 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.028 -1.045 . . . . 18.0 110.446 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.49 -32.97 29.4 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.31 -0.869 . . . . 28.289999999999999 109.858 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.86 -40.61 81.55 Favored Glycine 0 N--CA 1.504 3.214 0 N-CA-C 109.605 -1.398 . . . . 13.1 109.605 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -69.26 -47.95 63.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.578 -0.954 . . . . 20.359999999999999 108.735 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 28' ' ' TRP . . . . . 0.717 ' CE2' HD22 ' 2' ' 17' ' ' LEU . 57.2 m95 -61.13 -53.82 52.26 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 115.793 -0.639 . . . . 16.41 110.203 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 29' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' 2' ' 123' ' ' TRP . 93.0 t -61.53 -52.43 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.147 -0.971 . . . . 12.949999999999999 110.184 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 30' ' ' CYS . . . . . . . . . . . . . 47.5 t -49.59 -51.62 36.01 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.876 -1.14 . . . . 12.33 109.271 179.277 179.093 -101.412 -77.111 104.203 2.019 104.266 -78.964 -39.367 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.79 -58.06 10.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.766 -0.584 . . . . 16.32 109.964 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.05 78.79 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.787 -0.571 . . . . 13.4 110.779 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -49.48 -68.88 0.14 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.282 -0.886 . . . . 39.049999999999997 111.668 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 34' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -74.05 -19.53 60.59 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.153 -0.967 . . . . 22.600000000000001 111.374 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 35' ' ' GLU . . . . . 0.421 ' HG2' ' CB ' ' 2' ' 110' ' ' ALA . 16.2 mm-40 -75.76 -60.85 2.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.048 -1.032 . . . . 24.390000000000001 110.089 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 36' ' ' SER . . . . . 0.461 ' HB2' ' HB3' ' 2' ' 42' ' ' ALA . 60.7 p -128.53 -2.05 5.5 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 121.312 -0.868 . . . . 18.359999999999999 110.578 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t30 63.75 38.38 9.26 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.261 -0.899 . . . . 37.380000000000003 109.304 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 60.4 56.6 3.11 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.558 -0.714 . . . . 15.630000000000001 109.506 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 39' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' 2' ' 41' ' ' GLN . 14.4 t-20 -133.9 132.25 40.06 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.563 -0.711 . . . . 12.630000000000001 110.605 -178.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 40' ' ' THR . . . . . 0.56 ' OG1' ' N ' ' 2' ' 1' ' ' LYS . 9.3 p -91.24 33.4 0.98 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.628 -1.295 . . . . 16.050000000000001 109.181 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 41' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' 2' ' 1' ' ' LYS . 1.9 mt-30 -143.05 -25.08 0.61 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.354 -0.841 . . . . 18.239999999999998 110.758 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 42' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' 2' ' 36' ' ' SER . . . -61.91 108.09 0.97 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.721 -1.237 . . . . 13.390000000000001 109.989 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 43' ' ' THR . . . . . 0.457 HG23 ' O ' ' 2' ' 41' ' ' GLN . 70.1 p -103.89 155.07 18.92 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.509 -0.745 . . . . 16.32 110.439 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 44' ' ' ASN . . . . . 0.577 ' O ' HG23 ' 2' ' 51' ' ' THR . 0.8 OUTLIER -125.88 169.49 12.59 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.73 -0.606 . . . . 38.039999999999999 109.454 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 45' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' 2' ' 46' ' ' ASN . 10.8 tpp180 -132.22 144.88 50.95 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.45 -0.781 . . . . 48.469999999999999 111.189 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 46' ' ' ASN . . . . . 0.48 ' N ' ' HG3' ' 2' ' 45' ' ' ARG . 0.5 OUTLIER -117.86 141.95 47.85 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.925 -0.768 . . . . 31.77 108.925 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 47' ' ' THR . . . . . 0.417 ' O ' ' C ' ' 2' ' 48' ' ' ASP . 67.1 p -67.77 -42.69 81.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.54 -0.725 . . . . 39.75 110.954 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 48' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' 2' ' 47' ' ' THR . 1.6 p30 -39.76 -30.8 0.09 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.113 -0.992 . . . . 28.16 110.769 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 49' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' 2' ' 47' ' ' THR . . . 122.82 40.5 0.49 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.77 -1.732 . . . . 20.739999999999998 108.77 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 50' ' ' SER . . . . . 0.51 ' HA ' HG23 ' 2' ' 69' ' ' THR . 59.8 p -141.36 178.91 7.1 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.918 0.866 . . . . 13.49 110.259 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 51' ' ' THR . . . . . 0.577 HG23 ' O ' ' 2' ' 44' ' ' ASN . 94.8 m -149.89 149.95 31.2 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.362 -0.836 . . . . 10.65 108.977 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 52' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' 2' ' 58' ' ' ILE . 0.0 OUTLIER -111.62 132.56 54.48 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.59 -0.844 . . . . 25.93 110.494 -179.076 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 53' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' 2' ' 53' ' ' TYR . 1.7 m-85 -128.73 154.67 46.12 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.879 -1.156 . . . . 17.469999999999999 107.879 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 54' ' ' GLY . . . . . 0.534 ' H ' HD21 ' 2' ' 84' ' ' LEU . . . 113.32 138.93 7.2 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 110.294 -1.122 . . . . 11.039999999999999 110.294 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 55' ' ' ILE . . . . . 0.544 HG23 ' N ' ' 2' ' 56' ' ' LEU . 14.4 tt -42.14 -47.76 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.34 -1.094 . . . . 25.600000000000001 111.951 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 56' ' ' LEU . . . . . 0.544 ' N ' HG23 ' 2' ' 55' ' ' ILE . 0.3 OUTLIER -85.34 8.29 19.27 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.298 -0.876 . . . . 19.100000000000001 111.039 -178.543 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 64.7 112.53 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.572 -0.705 . . . . 16.210000000000001 109.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 58' ' ' ILE . . . . . 0.666 HG22 ' SG ' ' 2' ' 64' ' ' CYS . 0.8 OUTLIER -132.85 114.95 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 108.396 -0.965 . . . . 15.94 108.396 -179.704 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 59' ' ' ASN . . . . . 0.533 ' OD1' ' HB3' ' 2' ' 61' ' ' ARG . 20.7 t-20 -61.68 138.51 58.32 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.599 0.714 . . . . 23.219999999999999 110.905 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 60' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' 2' ' 64' ' ' CYS . 85.3 p -85.01 19.93 2.01 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 116.192 -0.458 . . . . 18.039999999999999 111.275 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 61' ' ' ARG . . . . . 0.533 ' HB3' ' OD1' ' 2' ' 59' ' ' ASN . 5.2 tpp180 -119.02 -36.16 3.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.161 -0.962 . . . . 73.370000000000005 110.237 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -117.37 -28.46 6.12 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.285 0.564 . . . . 59.299999999999997 110.366 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 63' ' ' TRP . . . . . 0.591 ' CZ3' HG23 ' 2' ' 98' ' ' ILE . 3.0 m95 -98.04 -56.51 2.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.742 -1.224 . . . . 15.460000000000001 110.829 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 64' ' ' CYS . . . . . 0.666 ' SG ' HG22 ' 2' ' 58' ' ' ILE . 19.6 p -134.08 -168.45 2.13 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.903 -1.123 . . . . 15.43 111.329 -178.517 70.372 86.993 111.553 104.772 2.019 104.902 -70.193 -53.902 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 65' ' ' ASN . . . . . 0.672 ' N ' ' SG ' ' 2' ' 80' ' ' CYS . 31.9 t-20 -144.14 154.0 42.71 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.037 -1.039 . . . . 37.229999999999997 108.859 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 66' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' 2' ' 65' ' ' ASN . 9.7 p30 -121.2 -12.83 8.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.737 . . . . 20.43 110.516 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.71 -3.01 67.59 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.213 -1.155 . . . . 30.149999999999999 110.213 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 68' ' ' ARG . . . . . 0.451 ' NE ' ' OH ' ' 2' ' 53' ' ' TYR . 5.5 ptt180 -122.39 -21.47 5.78 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.619 -0.93 . . . . 27.98 109.516 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 69' ' ' THR . . . . . 0.51 HG23 ' HA ' ' 2' ' 50' ' ' SER . 98.7 m -54.81 119.18 20.15 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.159 -0.963 . . . . 24.109999999999999 109.454 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 70' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -59.5 75.2 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.466 2.111 . . . . 40.630000000000003 112.284 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 71' ' ' GLY . . . . . 0.446 ' O ' ' CD ' ' 2' ' 61' ' ' ARG . . . 92.36 100.19 1.39 Allowed Glycine 0 N--CA 1.499 2.884 0 N-CA-C 109.405 -1.478 . . . . 44.289999999999999 109.405 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 72' ' ' SER . . . . . 0.518 ' HB3' ' ND2' ' 2' ' 65' ' ' ASN . 11.4 t -134.25 149.88 50.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 122.003 -0.704 . . . . 40.32 109.707 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 73' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' 2' ' 74' ' ' ASN . 0.1 OUTLIER -96.3 -53.89 3.46 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.108 -0.995 . . . . 104.61 110.82 -178.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 74' ' ' ASN . . . . . 0.586 HD22 ' CB ' ' 2' ' 65' ' ' ASN . 4.7 t-20 78.91 103.55 0.07 Allowed 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 121.474 0.654 . . . . 22.140000000000001 110.432 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 75' ' ' LEU . . . . . 0.461 ' N ' ' CD1' ' 2' ' 75' ' ' LEU . 5.4 mp -104.67 -8.92 18.55 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.442 -0.947 . . . . 26.600000000000001 108.442 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 76' ' ' CYS . . . . . 0.644 ' O ' ' NZ ' ' 2' ' 97' ' ' LYS . 6.0 t -97.13 -11.02 24.86 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.189 -0.944 . . . . 20.77 109.355 -179.988 -159.528 166.173 150.237 103.717 2.022 104.994 60.093 176.455 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 77' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' 2' ' 77' ' ' ASN . 0.4 OUTLIER 54.32 43.28 30.72 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 108.64 -0.874 . . . . 66.950000000000003 108.64 -178.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 78' ' ' ILE . . . . . 0.419 HG12 ' HD2' ' 2' ' 79' ' ' PRO . 0.1 OUTLIER -143.3 147.49 40.56 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.611 -0.68 . . . . 29.77 109.355 -179.216 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 79' ' ' PRO . . . . . 0.419 ' HD2' HG12 ' 2' ' 78' ' ' ILE . 56.1 Cg_endo -74.33 126.05 10.11 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.786 2.324 . . . . 24.41 111.362 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 80' ' ' CYS . . . . . 0.672 ' SG ' ' N ' ' 2' ' 65' ' ' ASN . 56.4 m -53.63 -51.51 62.85 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.449 -0.782 . . . . 14.140000000000001 111.704 -178.829 -53.902 -70.193 111.553 104.902 2.019 104.772 86.993 70.372 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -45.13 -41.24 7.77 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.202 -0.937 . . . . 20.77 110.677 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.34 -22.36 53.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.831 -1.168 . . . . 18.66 110.712 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 83' ' ' LEU . . . . . . . . . . . . . 44.2 mt -70.56 -7.74 46.17 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.886 -1.134 . . . . 19.699999999999999 110.165 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 84' ' ' LEU . . . . . 0.534 HD21 ' H ' ' 2' ' 54' ' ' GLY . 67.8 mt -102.48 19.49 18.84 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.386 -0.821 . . . . 20.129999999999999 110.603 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -61.59 163.85 6.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.107 -0.996 . . . . 21.559999999999999 110.576 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 86' ' ' SER . . . . . . . . . . . . . 67.3 p -68.24 -9.22 45.69 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.383 -0.823 . . . . 28.219999999999999 109.385 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 87' ' ' ASP . . . . . 0.463 ' OD1' ' OG1' ' 2' ' 89' ' ' THR . 14.8 t0 -119.63 131.84 55.56 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.231 -0.918 . . . . 34.939999999999998 109.754 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 88' ' ' ILE . . . . . . . . . . . . . 22.1 pt -60.36 -10.69 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.978 -1.077 . . . . 21.670000000000002 109.024 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 89' ' ' THR . . . . . 0.546 ' OG1' ' NH1' ' 2' ' 14' ' ' ARG . 69.5 m -49.12 -41.81 37.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.595 -0.691 . . . . 19.350000000000001 110.194 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.53 -61.53 2.53 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.978 -1.076 . . . . 18.440000000000001 110.159 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 91' ' ' SER . . . . . . . . . . . . . 29.9 m -61.19 -47.11 87.66 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.597 -0.689 . . . . 18.57 110.525 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 92' ' ' VAL . . . . . 0.725 HG11 ' HB3' ' 2' ' 15' ' ' HIS . 66.8 t -56.08 -39.74 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.983 -1.073 . . . . 25.199999999999999 110.038 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.39 -48.97 77.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.151 -0.968 . . . . 42.640000000000001 109.318 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 94' ' ' CYS . . . . . 0.482 ' SG ' ' CD1' ' 2' ' 98' ' ' ILE . 44.6 t -67.38 -41.17 85.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.856 -1.153 . . . . 13.539999999999999 108.835 179.071 176.455 60.093 150.237 104.994 2.022 103.717 166.173 -159.528 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.14 74.94 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.527 -0.733 . . . . 14.15 109.09 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 96' ' ' LYS . . . . . 0.615 ' NZ ' ' O ' ' 2' ' 15' ' ' HIS . 28.2 mttt -58.17 -21.56 47.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.539 -0.726 . . . . 21.23 110.002 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 97' ' ' LYS . . . . . 0.644 ' NZ ' ' O ' ' 2' ' 76' ' ' CYS . 1.7 ttpm? -91.53 -48.26 6.96 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.213 -1.032 . . . . 62.530000000000001 108.213 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 98' ' ' ILE . . . . . 0.591 HG23 ' CZ3' ' 2' ' 63' ' ' TRP . 65.7 mt -59.8 -43.95 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.773 -0.579 . . . . 20.68 109.611 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 99' ' ' VAL . . . . . 0.617 HG13 ' O ' ' 2' ' 99' ' ' VAL . 9.8 p -67.18 45.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.06 -1.025 . . . . 19.91 109.755 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 100' ' ' SER . . . . . 0.616 ' OG ' ' NH2' ' 2' ' 21' ' ' ARG . 2.5 m -154.69 19.56 0.46 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.097 -1.002 . . . . 23.460000000000001 109.218 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 101' ' ' ASP . . . . . 0.488 ' CG ' ' N ' ' 2' ' 102' ' ' GLY . 17.3 p-10 -87.15 -52.3 5.5 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 122.236 1.017 . . . . 42.049999999999997 108.951 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 102' ' ' GLY . . . . . 0.488 ' N ' ' CG ' ' 2' ' 101' ' ' ASP . . . 157.46 -33.08 0.54 Allowed Glycine 0 N--CA 1.487 2.096 0 N-CA-C 107.855 -2.098 . . . . 26.66 107.855 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 103' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -87.03 -26.35 23.78 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.641 -0.917 . . . . 54.109999999999999 108.921 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 104' ' ' GLY . . . . . . . . . . . . . . . 59.52 -123.3 32.88 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.056 -1.218 . . . . 15.800000000000001 110.056 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 105' ' ' MET . . . . . 0.408 ' C ' ' H ' ' 2' ' 107' ' ' ALA . 9.8 mtp -97.54 9.58 42.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.021 -1.282 . . . . 17.5 110.594 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 106' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -72.41 48.38 0.18 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.011 -1.055 . . . . 14.050000000000001 109.19 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 107' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' 2' ' 105' ' ' MET . . . -143.98 -53.52 0.34 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.68 -0.638 . . . . 17.449999999999999 109.528 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 108' ' ' TRP . . . . . . . . . . . . . 15.8 m-90 -47.73 122.32 4.82 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 121.876 0.846 . . . . 23.02 110.017 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 109' ' ' VAL . . . . . 0.416 HG13 ' N ' ' 2' ' 110' ' ' ALA . 9.1 p -57.48 -43.62 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.563 -0.711 . . . . 31.469999999999999 111.893 -178.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 110' ' ' ALA . . . . . 0.421 ' CB ' ' HG2' ' 2' ' 35' ' ' GLU . . . -61.92 -64.7 0.85 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.64 -1.287 . . . . 13.460000000000001 110.431 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 111' ' ' TRP . . . . . 0.585 ' HA ' ' SG ' ' 2' ' 115' ' ' CYS . 58.4 t90 -52.59 -47.83 66.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.429 -0.794 . . . . 16.460000000000001 110.528 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 112' ' ' ARG . . . . . 0.483 ' CB ' ' CZ ' ' 2' ' 112' ' ' ARG . 0.0 OUTLIER -38.3 -47.82 1.25 Allowed 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 112.839 0.681 . . . . 44.850000000000001 112.839 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 113' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.72 -29.51 3.41 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.406 -1.434 . . . . 19.550000000000001 112.399 -177.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 114' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -77.21 -17.69 58.3 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.897 -1.127 . . . . 22.800000000000001 109.657 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 115' ' ' CYS . . . . . 0.585 ' SG ' ' HA ' ' 2' ' 111' ' ' TRP . 3.8 m -127.21 -52.77 1.4 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.413 -0.804 . . . . 16.550000000000001 110.426 -179.746 -39.367 -78.964 -77.111 104.266 2.019 104.203 -101.412 179.093 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 116' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -65.06 61.88 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.282 -0.886 . . . . 13.76 109.548 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 117' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' 2' ' 115' ' ' CYS . . . 148.87 6.6 0.22 Allowed Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.756 -0.938 . . . . 28.98 110.756 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 118' ' ' THR . . . . . . . . . . . . . 66.5 p -116.79 -107.79 0.37 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.16 -1.2 . . . . 21.239999999999998 109.781 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 119' ' ' ASP . . . . . 0.565 ' CG ' ' H ' ' 2' ' 121' ' ' GLN . 0.2 OUTLIER -134.19 155.18 50.58 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.335 -0.853 . . . . 45.649999999999999 109.386 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 120' ' ' VAL . . . . . 0.429 ' HA ' ' CD1' ' 2' ' 123' ' ' TRP . 17.1 m -123.82 24.08 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.378 -0.826 . . . . 23.640000000000001 109.974 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 121' ' ' GLN . . . . . 0.565 ' H ' ' CG ' ' 2' ' 119' ' ' ASP . 34.2 mt-30 -114.64 -38.85 3.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.404 -0.81 . . . . 77.719999999999999 110.046 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 122' ' ' ALA . . . . . 0.659 ' O ' ' NH1' ' 2' ' 5' ' ' ARG . . . -59.32 -10.33 2.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.273 -0.892 . . . . 25.469999999999999 110.357 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 123' ' ' TRP . . . . . 0.558 ' NE1' ' O ' ' 2' ' 119' ' ' ASP . 0.9 OUTLIER -102.05 -0.24 33.85 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.277 -0.889 . . . . 23.510000000000002 110.164 -179.711 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 124' ' ' ILE . . . . . 0.523 ' O ' ' C ' ' 2' ' 125' ' ' ARG . 2.9 pt -133.6 -30.37 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.479 -0.763 . . . . 24.41 109.697 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 125' ' ' ARG . . . . . 0.594 ' O ' ' NH2' ' 2' ' 5' ' ' ARG . 4.8 mmt180 -32.89 123.79 0.37 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.216 -0.927 . . . . 107.61 109.978 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 126' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' 2' ' 128' ' ' ARG . . . 109.28 -67.1 0.23 Allowed Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.903 -1.279 . . . . 29.350000000000001 109.903 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 127' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' 2' ' 129' ' ' LEU . 84.7 m -67.08 59.4 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.319 -1.106 . . . . 21.359999999999999 109.081 179.36 -67.596 -62.16 -122.081 104.776 2.022 104.019 19.959 -87.135 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 128' ' ' ARG . . . . . 0.587 ' N ' ' O ' ' 2' ' 126' ' ' GLY . 0.3 OUTLIER -65.66 59.68 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.794 0.807 . . . . 75.780000000000001 109.773 -177.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 129' ' ' LEU . . . . . 0.684 ' O ' ' NZ ' ' 2' ' 13' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.294 -1.831 0 CA-C-O 117.439 -1.267 . . . . 66.939999999999998 108.244 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' 2' 2 ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' 2' 2 ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' 2' 2 ' 133' ' ' HOH . . . . . 0.527 ' O ' ' N ' ' 2' ' 74' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' 2' 2 ' 1' ' ' LYS . . . . . 0.582 ' NZ ' ' OE2' ' 2' ' 7' ' ' GLU . 3.9 tttt . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 109.087 -0.709 . . . . 42.79 109.087 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 2' ' ' VAL . . . . . 0.441 ' H ' ' HG2' ' 2' ' 1' ' ' LYS . 89.9 t -118.23 151.79 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.565 -0.709 . . . . 24.21 109.623 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -127.81 119.5 25.83 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.264 -0.898 . . . . 28.13 110.879 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.45 170.09 53.82 Favored Glycine 0 N--CA 1.5 2.926 0 N-CA-C 110.852 -0.899 . . . . 22.39 110.852 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 5' ' ' ARG . . . . . 0.659 ' NH1' ' O ' ' 2' ' 122' ' ' ALA . 0.0 OUTLIER -54.4 -56.58 17.25 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.229 -1.159 . . . . 27.86 110.72 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.56 -34.93 67.84 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.408 -1.433 . . . . 19.64 110.159 -178.02 -87.135 19.959 -122.081 104.019 2.022 104.776 -62.16 -67.596 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 7' ' ' GLU . . . . . 0.582 ' OE2' ' NZ ' ' 2' ' 1' ' ' LYS . 33.7 tt0 -60.53 -51.64 68.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.584 -1.323 . . . . 23.04 107.827 176.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 8' ' ' LEU . . . . . 0.425 HD23 HG22 ' 2' ' 29' ' ' VAL . 20.7 tp -60.52 -43.87 96.66 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.846 -0.534 . . . . 16.7 110.143 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.97 90.38 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.88 -1.137 . . . . 17.62 109.252 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -49.0 77.5 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.797 . . . . 16.36 109.432 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 11' ' ' ALA . . . . . 0.511 ' O ' ' ND1' ' 2' ' 15' ' ' HIS . . . -60.06 -50.35 74.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.417 -0.802 . . . . 19.06 109.418 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 12' ' ' MET . . . . . 0.469 ' SD ' HD13 ' 2' ' 17' ' ' LEU . 0.6 OUTLIER -57.06 -31.55 65.32 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.279 -0.888 . . . . 19.46 109.846 179.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 13' ' ' LYS . . . . . 0.684 ' NZ ' ' O ' ' 2' ' 129' ' ' LEU . 2.3 ttmt -74.62 -48.22 27.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.132 -0.98 . . . . 47.7 109.044 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 14' ' ' ARG . . . . . 0.577 ' NH1' ' CE1' ' 2' ' 15' ' ' HIS . 5.2 tmm_? -57.28 -29.24 63.71 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.131 -0.692 . . . . 57.23 109.131 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 15' ' ' HIS . . . . . 0.725 ' HB3' HG11 ' 2' ' 92' ' ' VAL . 79.2 m80 -85.65 -18.31 33.59 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.595 -0.691 . . . . 36.15 110.056 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 16' ' ' GLY . . . . . 0.564 ' O ' ' NZ ' ' 2' ' 96' ' ' LYS . . . 79.42 46.48 8.02 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 108.227 -1.949 . . . . 28.71 108.227 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 17' ' ' LEU . . . . . 0.717 HD22 ' CE2' ' 2' ' 28' ' ' TRP . 3.3 mt -102.37 -26.1 13.41 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.876 -0.779 . . . . 25.44 109.112 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -61.75 114.87 3.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.186 -0.946 . . . . 33.42 109.717 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 19' ' ' ASN . . . . . 0.647 ' H ' ' HA ' ' 2' ' 24' ' ' SER . 8.2 m-80 71.33 13.94 6.55 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.132 -0.692 . . . . 46.99 109.132 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 20' ' ' TYR . . . . . 0.626 ' CZ ' ' NH1' ' 2' ' 21' ' ' ARG . 33.6 t80 -58.51 116.76 3.87 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.843 -1.169 . . . . 23.47 107.843 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 21' ' ' ARG . . . . . 0.626 ' NH1' ' CZ ' ' 2' ' 20' ' ' TYR . 0.0 OUTLIER 56.49 17.3 2.91 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.402 -0.962 . . . . 74.14 108.402 -177.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.2 -20.2 43.62 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.293 -1.123 . . . . 19.98 110.293 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.46 ' HB3' ' CE2' ' 2' ' 28' ' ' TRP . 16.3 m-85 -66.98 90.89 0.19 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.114 -1.227 . . . . 13.62 110.228 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 24' ' ' SER . . . . . 0.647 ' HA ' ' H ' ' 2' ' 19' ' ' ASN . 12.7 p -68.25 159.82 30.49 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.028 -1.045 . . . . 18.0 110.446 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.49 -32.97 29.4 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.31 -0.869 . . . . 28.29 109.858 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.86 -40.61 81.55 Favored Glycine 0 N--CA 1.504 3.214 0 N-CA-C 109.605 -1.398 . . . . 13.1 109.605 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -69.26 -47.95 63.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.578 -0.954 . . . . 20.36 108.735 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 28' ' ' TRP . . . . . 0.717 ' CE2' HD22 ' 2' ' 17' ' ' LEU . 57.2 m95 -61.13 -53.82 52.26 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 115.793 -0.639 . . . . 16.41 110.203 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 29' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' 2' ' 123' ' ' TRP . 93.0 t -61.53 -52.43 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.147 -0.971 . . . . 12.95 110.184 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 30' ' ' CYS . . . . . . . . . . . . . 47.5 t -49.59 -51.62 36.01 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.876 -1.14 . . . . 12.33 109.271 179.277 179.093 -101.412 -77.111 104.203 2.019 104.266 -78.964 -39.367 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.79 -58.06 10.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.766 -0.584 . . . . 16.32 109.964 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.05 78.79 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.787 -0.571 . . . . 13.4 110.779 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -49.48 -68.88 0.14 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.282 -0.886 . . . . 39.05 111.668 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 34' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -74.05 -19.53 60.59 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.153 -0.967 . . . . 22.6 111.374 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 35' ' ' GLU . . . . . 0.421 ' HG2' ' CB ' ' 2' ' 110' ' ' ALA . 16.2 mm-40 -75.76 -60.85 2.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.048 -1.032 . . . . 24.39 110.089 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 36' ' ' SER . . . . . 0.461 ' HB2' ' HB3' ' 2' ' 42' ' ' ALA . 60.7 p -128.53 -2.05 5.5 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 121.312 -0.868 . . . . 18.36 110.578 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t30 63.75 38.38 9.26 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.261 -0.899 . . . . 37.38 109.304 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 60.4 56.6 3.11 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.558 -0.714 . . . . 15.63 109.506 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 39' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' 2' ' 41' ' ' GLN . 14.4 t-20 -133.9 132.25 40.06 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.563 -0.711 . . . . 12.63 110.605 -178.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 40' ' ' THR . . . . . 0.56 ' OG1' ' N ' ' 2' ' 1' ' ' LYS . 9.3 p -91.24 33.4 0.98 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.628 -1.295 . . . . 16.05 109.181 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 41' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' 2' ' 1' ' ' LYS . 1.9 mt-30 -143.05 -25.08 0.61 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.354 -0.841 . . . . 18.24 110.758 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 42' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' 2' ' 36' ' ' SER . . . -61.91 108.09 0.97 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.721 -1.237 . . . . 13.39 109.989 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 43' ' ' THR . . . . . 0.457 HG23 ' O ' ' 2' ' 41' ' ' GLN . 70.1 p -103.89 155.07 18.92 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.509 -0.745 . . . . 16.32 110.439 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 44' ' ' ASN . . . . . 0.577 ' O ' HG23 ' 2' ' 51' ' ' THR . 0.8 OUTLIER -125.88 169.49 12.59 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.73 -0.606 . . . . 38.04 109.454 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 45' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' 2' ' 46' ' ' ASN . 10.8 tpp180 -132.22 144.88 50.95 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.45 -0.781 . . . . 48.47 111.189 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 46' ' ' ASN . . . . . 0.48 ' N ' ' HG3' ' 2' ' 45' ' ' ARG . 0.5 OUTLIER -117.86 141.95 47.85 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.925 -0.768 . . . . 31.77 108.925 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 47' ' ' THR . . . . . 0.417 ' O ' ' C ' ' 2' ' 48' ' ' ASP . 67.1 p -67.77 -42.69 81.3 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.54 -0.725 . . . . 39.75 110.954 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 48' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' 2' ' 47' ' ' THR . 1.6 p30 -39.76 -30.8 0.09 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.113 -0.992 . . . . 28.16 110.769 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 49' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' 2' ' 47' ' ' THR . . . 122.82 40.5 0.49 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.77 -1.732 . . . . 20.74 108.77 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 50' ' ' SER . . . . . 0.51 ' HA ' HG23 ' 2' ' 69' ' ' THR . 59.8 p -141.36 178.91 7.1 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.918 0.866 . . . . 13.49 110.259 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 51' ' ' THR . . . . . 0.577 HG23 ' O ' ' 2' ' 44' ' ' ASN . 94.8 m -149.89 149.95 31.2 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.362 -0.836 . . . . 10.65 108.977 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 52' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' 2' ' 58' ' ' ILE . 0.0 OUTLIER -111.62 132.56 54.48 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.59 -0.844 . . . . 25.93 110.494 -179.076 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 53' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' 2' ' 53' ' ' TYR . 1.7 m-85 -128.73 154.67 46.12 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.879 -1.156 . . . . 17.47 107.879 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 54' ' ' GLY . . . . . 0.534 ' H ' HD21 ' 2' ' 84' ' ' LEU . . . 113.32 138.93 7.2 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 110.294 -1.122 . . . . 11.04 110.294 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 55' ' ' ILE . . . . . 0.544 HG23 ' N ' ' 2' ' 56' ' ' LEU . 14.4 tt -42.14 -47.76 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.34 -1.094 . . . . 25.6 111.951 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 56' ' ' LEU . . . . . 0.544 ' N ' HG23 ' 2' ' 55' ' ' ILE . 0.3 OUTLIER -85.34 8.29 19.27 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.298 -0.876 . . . . 19.1 111.039 -178.543 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 64.7 112.53 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.572 -0.705 . . . . 16.21 109.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 58' ' ' ILE . . . . . 0.666 HG22 ' SG ' ' 2' ' 64' ' ' CYS . 0.8 OUTLIER -132.85 114.95 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 108.396 -0.965 . . . . 15.94 108.396 -179.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 59' ' ' ASN . . . . . 0.533 ' OD1' ' HB3' ' 2' ' 61' ' ' ARG . 20.7 t-20 -61.68 138.51 58.32 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.599 0.714 . . . . 23.22 110.905 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 60' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' 2' ' 64' ' ' CYS . 85.3 p -85.01 19.93 2.01 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 116.192 -0.458 . . . . 18.04 111.275 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 61' ' ' ARG . . . . . 0.533 ' HB3' ' OD1' ' 2' ' 59' ' ' ASN . 5.2 tpp180 -119.02 -36.16 3.47 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.161 -0.962 . . . . 73.37 110.237 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -117.37 -28.46 6.12 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.285 0.564 . . . . 59.3 110.366 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 63' ' ' TRP . . . . . 0.591 ' CZ3' HG23 ' 2' ' 98' ' ' ILE . 3.0 m95 -98.04 -56.51 2.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.742 -1.224 . . . . 15.46 110.829 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 64' ' ' CYS . . . . . 0.666 ' SG ' HG22 ' 2' ' 58' ' ' ILE . 19.6 p -134.08 -168.45 2.13 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.903 -1.123 . . . . 15.43 111.329 -178.517 70.372 86.993 111.553 104.772 2.019 104.902 -70.193 -53.902 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 65' ' ' ASN . . . . . 0.672 ' N ' ' SG ' ' 2' ' 80' ' ' CYS . 31.9 t-20 -144.14 154.0 42.71 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.037 -1.039 . . . . 37.23 108.859 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 66' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' 2' ' 65' ' ' ASN . 9.7 p30 -121.2 -12.83 8.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.737 . . . . 20.43 110.516 -178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.71 -3.01 67.59 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.213 -1.155 . . . . 30.15 110.213 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 68' ' ' ARG . . . . . 0.451 ' NE ' ' OH ' ' 2' ' 53' ' ' TYR . 5.5 ptt180 -122.39 -21.47 5.78 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.619 -0.93 . . . . 27.98 109.516 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 69' ' ' THR . . . . . 0.51 HG23 ' HA ' ' 2' ' 50' ' ' SER . 98.7 m -54.81 119.18 20.15 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.159 -0.963 . . . . 24.11 109.454 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 70' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -59.5 75.2 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.466 2.111 . . . . 40.63 112.284 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 71' ' ' GLY . . . . . 0.446 ' O ' ' CD ' ' 2' ' 61' ' ' ARG . . . 92.36 100.19 1.39 Allowed Glycine 0 N--CA 1.499 2.884 0 N-CA-C 109.405 -1.478 . . . . 44.29 109.405 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 72' ' ' SER . . . . . 0.518 ' HB3' ' ND2' ' 2' ' 65' ' ' ASN . 11.4 t -134.25 149.88 50.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 122.003 -0.704 . . . . 40.32 109.707 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 73' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' 2' ' 74' ' ' ASN . 0.1 OUTLIER -96.3 -53.89 3.46 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.108 -0.995 . . . . 104.61 110.82 -178.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 74' ' ' ASN . . . . . 0.586 HD22 ' CB ' ' 2' ' 65' ' ' ASN . 4.7 t-20 78.91 103.55 0.07 Allowed 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 121.474 0.654 . . . . 22.14 110.432 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 75' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' 2' ' 75' ' ' LEU . 5.4 mp -104.67 -8.92 18.55 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.442 -0.947 . . . . 26.6 108.442 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 76' ' ' CYS . . . . . 0.644 ' O ' ' NZ ' ' 2' ' 97' ' ' LYS . 6.0 t -97.13 -11.02 24.86 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.189 -0.944 . . . . 20.77 109.355 -179.988 -159.528 166.173 150.237 103.717 2.022 104.994 60.093 176.455 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 77' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' 2' ' 77' ' ' ASN . 0.4 OUTLIER 54.32 43.28 30.72 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 108.64 -0.874 . . . . 66.95 108.64 -178.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 78' ' ' ILE . . . . . 0.419 HG12 ' HD2' ' 2' ' 79' ' ' PRO . 0.1 OUTLIER -143.3 147.49 40.56 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.611 -0.68 . . . . 29.77 109.355 -179.216 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 79' ' ' PRO . . . . . 0.419 ' HD2' HG12 ' 2' ' 78' ' ' ILE . 56.1 Cg_endo -74.33 126.05 10.11 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.786 2.324 . . . . 24.41 111.362 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 80' ' ' CYS . . . . . 0.672 ' SG ' ' N ' ' 2' ' 65' ' ' ASN . 56.4 m -53.63 -51.51 62.85 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.449 -0.782 . . . . 14.14 111.704 -178.829 -53.902 -70.193 111.553 104.902 2.019 104.772 86.993 70.372 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -45.13 -41.24 7.77 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.202 -0.937 . . . . 20.77 110.677 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.34 -22.36 53.08 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.831 -1.168 . . . . 18.66 110.712 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 83' ' ' LEU . . . . . . . . . . . . . 44.2 mt -70.56 -7.74 46.17 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.886 -1.134 . . . . 19.7 110.165 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 84' ' ' LEU . . . . . 0.534 HD21 ' H ' ' 2' ' 54' ' ' GLY . 67.8 mt -102.48 19.49 18.84 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.386 -0.821 . . . . 20.13 110.603 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -61.59 163.85 6.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.107 -0.996 . . . . 21.56 110.576 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 86' ' ' SER . . . . . . . . . . . . . 67.3 p -68.24 -9.22 45.69 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.383 -0.823 . . . . 28.22 109.385 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 87' ' ' ASP . . . . . 0.463 ' OD1' ' OG1' ' 2' ' 89' ' ' THR . 14.8 t0 -119.63 131.84 55.56 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.231 -0.918 . . . . 34.94 109.754 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 88' ' ' ILE . . . . . . . . . . . . . 22.1 pt -60.36 -10.69 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.978 -1.077 . . . . 21.67 109.024 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 89' ' ' THR . . . . . 0.546 ' OG1' ' NH1' ' 2' ' 14' ' ' ARG . 69.5 m -49.12 -41.81 37.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.595 -0.691 . . . . 19.35 110.194 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.53 -61.53 2.53 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.978 -1.076 . . . . 18.44 110.159 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 91' ' ' SER . . . . . . . . . . . . . 29.9 m -61.19 -47.11 87.66 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.597 -0.689 . . . . 18.57 110.525 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 92' ' ' VAL . . . . . 0.725 HG11 ' HB3' ' 2' ' 15' ' ' HIS . 66.8 t -56.08 -39.74 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.983 -1.073 . . . . 25.2 110.038 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.39 -48.97 77.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.151 -0.968 . . . . 42.64 109.318 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 94' ' ' CYS . . . . . 0.482 ' SG ' ' CD1' ' 2' ' 98' ' ' ILE . 44.6 t -67.38 -41.17 85.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.856 -1.153 . . . . 13.54 108.835 179.071 176.455 60.093 150.237 104.994 2.022 103.717 166.173 -159.528 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.14 74.94 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.527 -0.733 . . . . 14.15 109.09 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 96' ' ' LYS . . . . . 0.615 ' NZ ' ' O ' ' 2' ' 15' ' ' HIS . 28.2 mttt -58.17 -21.56 47.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.539 -0.726 . . . . 21.23 110.002 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 97' ' ' LYS . . . . . 0.644 ' NZ ' ' O ' ' 2' ' 76' ' ' CYS . 1.7 ttpm? -91.53 -48.26 6.96 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.213 -1.032 . . . . 62.53 108.213 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 98' ' ' ILE . . . . . 0.591 HG23 ' CZ3' ' 2' ' 63' ' ' TRP . 65.7 mt -59.8 -43.95 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.773 -0.579 . . . . 20.68 109.611 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 99' ' ' VAL . . . . . 0.617 ' O ' HG13 ' 2' ' 99' ' ' VAL . 9.8 p -67.18 45.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.06 -1.025 . . . . 19.91 109.755 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 100' ' ' SER . . . . . 0.616 ' OG ' ' NH2' ' 2' ' 21' ' ' ARG . 2.5 m -154.69 19.56 0.46 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.097 -1.002 . . . . 23.46 109.218 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 101' ' ' ASP . . . . . 0.488 ' CG ' ' N ' ' 2' ' 102' ' ' GLY . 17.3 p-10 -87.15 -52.3 5.5 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 122.236 1.017 . . . . 42.05 108.951 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 102' ' ' GLY . . . . . 0.488 ' N ' ' CG ' ' 2' ' 101' ' ' ASP . . . 157.46 -33.08 0.54 Allowed Glycine 0 N--CA 1.487 2.096 0 N-CA-C 107.855 -2.098 . . . . 26.66 107.855 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 103' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -87.03 -26.35 23.78 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.641 -0.917 . . . . 54.11 108.921 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 104' ' ' GLY . . . . . . . . . . . . . . . 59.52 -123.3 32.88 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.056 -1.218 . . . . 15.8 110.056 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 105' ' ' MET . . . . . 0.408 ' C ' ' H ' ' 2' ' 107' ' ' ALA . 9.8 mtp -97.54 9.58 42.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.021 -1.282 . . . . 17.5 110.594 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 106' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -72.41 48.38 0.18 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.011 -1.055 . . . . 14.05 109.19 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 107' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' 2' ' 105' ' ' MET . . . -143.98 -53.52 0.34 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.68 -0.638 . . . . 17.45 109.528 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 108' ' ' TRP . . . . . . . . . . . . . 15.8 m-90 -47.73 122.32 4.82 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 121.876 0.846 . . . . 23.02 110.017 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 109' ' ' VAL . . . . . 0.416 HG13 ' N ' ' 2' ' 110' ' ' ALA . 9.1 p -57.48 -43.62 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.563 -0.711 . . . . 31.47 111.893 -178.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 110' ' ' ALA . . . . . 0.421 ' CB ' ' HG2' ' 2' ' 35' ' ' GLU . . . -61.92 -64.7 0.85 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.64 -1.287 . . . . 13.46 110.431 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 111' ' ' TRP . . . . . 0.585 ' HA ' ' SG ' ' 2' ' 115' ' ' CYS . 58.4 t90 -52.59 -47.83 66.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.429 -0.794 . . . . 16.46 110.528 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 112' ' ' ARG . . . . . 0.483 ' CZ ' ' CB ' ' 2' ' 112' ' ' ARG . 0.0 OUTLIER -38.3 -47.82 1.25 Allowed 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 112.839 0.681 . . . . 44.85 112.839 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.72 -29.51 3.41 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.406 -1.434 . . . . 19.55 112.399 -177.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 114' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -77.21 -17.69 58.3 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.897 -1.127 . . . . 22.8 109.657 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 115' ' ' CYS . . . . . 0.585 ' SG ' ' HA ' ' 2' ' 111' ' ' TRP . 3.8 m -127.21 -52.77 1.4 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.413 -0.804 . . . . 16.55 110.426 -179.746 -39.367 -78.964 -77.111 104.266 2.019 104.203 -101.412 179.093 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 116' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -65.06 61.88 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.282 -0.886 . . . . 13.76 109.548 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 117' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' 2' ' 115' ' ' CYS . . . 148.87 6.6 0.22 Allowed Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.756 -0.938 . . . . 28.98 110.756 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 118' ' ' THR . . . . . . . . . . . . . 66.5 p -116.79 -107.79 0.37 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.16 -1.2 . . . . 21.24 109.781 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 119' ' ' ASP . . . . . 0.565 ' CG ' ' H ' ' 2' ' 121' ' ' GLN . 0.2 OUTLIER -134.19 155.18 50.58 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.335 -0.853 . . . . 45.65 109.386 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 120' ' ' VAL . . . . . 0.429 ' HA ' ' CD1' ' 2' ' 123' ' ' TRP . 17.1 m -123.82 24.08 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.378 -0.826 . . . . 23.64 109.974 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 121' ' ' GLN . . . . . 0.565 ' H ' ' CG ' ' 2' ' 119' ' ' ASP . 34.2 mt-30 -114.64 -38.85 3.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.404 -0.81 . . . . 77.72 110.046 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 122' ' ' ALA . . . . . 0.659 ' O ' ' NH1' ' 2' ' 5' ' ' ARG . . . -59.32 -10.33 2.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.273 -0.892 . . . . 25.47 110.357 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 123' ' ' TRP . . . . . 0.558 ' NE1' ' O ' ' 2' ' 119' ' ' ASP . 0.9 OUTLIER -102.05 -0.24 33.85 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.277 -0.889 . . . . 23.51 110.164 -179.711 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 124' ' ' ILE . . . . . 0.523 ' O ' ' C ' ' 2' ' 125' ' ' ARG . 2.9 pt -133.6 -30.37 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.479 -0.763 . . . . 24.41 109.697 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 125' ' ' ARG . . . . . 0.594 ' O ' ' NH2' ' 2' ' 5' ' ' ARG . 4.8 mmt180 -32.89 123.79 0.37 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.216 -0.927 . . . . 107.61 109.978 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 126' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' 2' ' 128' ' ' ARG . . . 109.28 -67.1 0.23 Allowed Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.903 -1.279 . . . . 29.35 109.903 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 127' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' 2' ' 129' ' ' LEU . 84.7 m -67.08 59.4 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.319 -1.106 . . . . 21.36 109.081 179.36 -67.596 -62.16 -122.081 104.776 2.022 104.019 19.959 -87.135 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 128' ' ' ARG . . . . . 0.587 ' N ' ' O ' ' 2' ' 126' ' ' GLY . 0.3 OUTLIER -65.66 59.68 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.794 0.807 . . . . 75.78 109.773 -177.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 129' ' ' LEU . . . . . 0.684 ' O ' ' NZ ' ' 2' ' 13' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.294 -1.831 0 CA-C-O 117.439 -1.267 . . . . 66.94 108.244 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' 2' 2 ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' 2' 2 ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' 2' 2 ' 133' ' ' HOH . . . . . 0.527 ' O ' ' N ' ' 2' ' 74' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_