data_1giw_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 1giw _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.493 ' H3 ' ' CG ' ' A' ' 92' ' ' GLU . . . . . . . . 0 CA--C 1.515 0.074 0 N-CA-C 105.492 -3.043 . . . . 0.0 105.492 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.94 139.87 33.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.479 1.139 . . . . 0.0 108.933 -175.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.1 p -69.33 -41.35 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 121.433 0.635 . . . . 0.0 110.509 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -72.71 -47.96 42.73 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.791 0.836 . . . . 0.0 109.526 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -53.99 -46.81 71.82 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.9 -56.79 12.55 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.252 20.3 pttt -64.9 -35.84 82.43 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.367 1.083 . . . . 0.0 112.706 -174.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -51.7 60.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.287 0.565 . . . . 0.0 109.595 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -73.14 -41.14 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -169.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -45.1 -66.6 0.38 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.864 0.866 . . . . 0.0 108.808 165.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.92 -41.23 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 O-C-N 122.001 -0.437 . . . . 0.0 109.989 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -53.93 -43.72 70.04 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.302 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HZ1' ' CD ' ' A' ' 90' ' ' GLU . 4.5 ptmt -124.44 2.77 8.39 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -171.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 m -123.43 -45.43 2.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.019 0.928 . . . . 0.0 109.016 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.39 -36.39 32.51 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.062 0.945 . . . . 0.0 113.395 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -37.39 -45.34 0.69 Allowed 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.137 1.375 . . . . 0.0 111.794 170.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.1 m -101.21 -25.91 13.84 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.252 1.421 . . . . 0.0 111.85 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -133.63 81.69 1.94 Allowed 'General case' 0 C--N 1.345 0.397 0 CA-C-N 119.709 1.14 . . . . 0.0 112.804 -167.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -80.61 62.42 4.67 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 119.913 -1.742 . . . . 0.0 112.38 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -74.73 83.11 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 124.673 1.189 . . . . 0.0 109.738 171.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -137.84 -11.46 1.53 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.208 0.603 . . . . 0.0 112.034 169.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.345 0.408 0 CA-C-O 123.04 1.4 . . . . 0.0 113.179 -172.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.02 57.6 0.02 OUTLIER Glycine 0 C--N 1.315 -0.612 0 CA-C-N 112.434 -2.166 . . . . 0.0 107.844 -155.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.64 -126.84 0.35 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 108.243 -1.943 . . . . 0.0 108.243 169.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -132.73 174.99 9.72 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 171.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -76.1 -112.85 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 158.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.5 tttt 70.01 70.44 0.23 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.481 1.112 . . . . 0.0 111.564 167.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 86.49 10.43 0.2 Allowed 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 126.145 1.778 . . . . 0.0 111.353 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.61 124.13 0.88 Allowed Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 104.623 -3.391 . . . . 0.0 104.623 172.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -70.1 136.42 32.04 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 CA-C-N 120.63 2.215 . . . . 0.0 107.765 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -61.24 124.48 20.69 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 mt -75.04 57.54 0.82 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.201 1.8 . . . . 0.0 111.113 -166.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -78.55 65.32 3.8 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.346 1.858 . . . . 0.0 110.124 -169.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.31 89.99 1.81 Allowed Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.8 mt -92.12 -60.39 1.86 Allowed 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.945 0.898 . . . . 0.0 110.048 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -57.06 105.99 0.27 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.875 1.27 . . . . 0.0 110.574 -170.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.4 -18.23 51.63 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.537 -0.591 . . . . 0.0 113.294 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -81.93 121.29 26.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.07 1.435 . . . . 0.0 109.02 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.45 113.87 2.41 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.989 0.424 . . . . 0.0 111.271 174.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.5 m -65.5 169.83 5.64 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 126.823 2.049 . . . . 0.0 110.776 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.44 13.32 57.31 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 170.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -168.05 83.27 0.19 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 122.092 -0.652 . . . . 0.0 109.572 -167.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.57 134.3 19.77 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 122.92 0.488 . . . . 0.0 110.025 174.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -79.26 67.66 8.52 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.858 2.372 . . . . 0.0 111.394 -172.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.58 -75.22 0.2 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.289 -1.125 . . . . 0.0 110.289 172.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -108.74 108.1 18.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 175.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.4 t -119.34 49.61 1.33 Allowed 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.772 0.829 . . . . 0.0 110.649 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.12 -171.0 0.08 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 159.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.0 p -63.62 151.02 42.83 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.038 168.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -53.4 -39.98 64.72 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 126.532 1.933 . . . . 0.0 111.211 168.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.74 -39.24 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 118.813 0.733 . . . . 0.0 111.552 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -85.63 -37.48 19.46 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.329 0.651 . . . . 0.0 110.504 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -58.69 -38.92 79.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.942 0.877 . . . . 0.0 109.095 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -73.63 -14.14 61.12 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 124.403 1.081 . . . . 0.0 110.57 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -43.35 96.17 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.52 -0.738 . . . . 0.0 111.534 -166.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.71 37.46 68.71 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.069 0.842 . . . . 0.0 114.241 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.7 pt -92.95 -160.84 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.553 1.141 . . . . 0.0 109.232 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.6 m -138.08 34.53 2.35 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.318 1.047 . . . . 0.0 109.937 -173.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.7 m95 15.39 68.93 0.01 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.169 2.188 . . . . 0.0 113.823 -168.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.84 174.73 6.95 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.978 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' CD ' ' HZ3' ' A' ' 99' ' ' LYS . 13.4 pt-20 -75.71 38.63 0.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.096 1.358 . . . . 0.0 113.219 -177.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -133.83 -57.67 0.87 Allowed 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.568 1.947 . . . . 0.0 105.761 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 p -62.76 -41.59 99.29 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.65 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -46.22 90.56 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.571 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.7 mtt -55.39 -56.14 23.61 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.44 1.018 . . . . 0.0 111.359 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -58.79 -43.62 90.55 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.387 0.613 . . . . 0.0 110.179 -174.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -61.75 -60.59 3.43 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 123.433 0.693 . . . . 0.0 110.437 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.75 -31.8 69.98 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.693 -0.629 . . . . 0.0 112.336 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -64.0 -51.27 65.05 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.754 0.707 . . . . 0.0 109.701 172.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -146.84 72.45 12.46 Favored Pre-proline 0 CA--C 1.533 0.29 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -167.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -69.13 -43.37 3.23 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 121.754 1.636 . . . . 0.0 111.773 -161.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -56.46 -31.31 63.87 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -79.23 -51.92 8.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 119.112 0.869 . . . . 0.0 109.038 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -50.07 -42.98 50.98 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.2 mt -126.61 106.52 23.42 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 124.711 1.205 . . . . 0.0 108.623 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -72.45 78.18 2.01 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 123.614 2.876 . . . . 0.0 110.442 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.58 38.01 0.75 Allowed Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.872 1.225 . . . . 0.0 111.929 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 t -59.13 149.71 27.26 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 162.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -82.93 -2.88 56.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 169.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.86 131.21 45.09 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.755 0.788 . . . . 0.0 109.5 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.3 mm -107.15 85.0 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -157.85 150.63 22.83 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.08 9.05 0.66 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -168.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.01 161.29 9.93 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 105.316 -3.114 . . . . 0.0 105.316 -168.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.3 tt -129.92 -49.06 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 118.422 1.111 . . . . 0.0 112.07 -164.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -166.72 -65.19 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.076 0.95 . . . . 0.0 109.451 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -167.43 -63.0 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.692 0.797 . . . . 0.0 109.182 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -163.37 -55.73 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.227 1.011 . . . . 0.0 108.652 -172.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 m -42.02 -49.45 4.68 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.658 1.583 . . . . 0.0 111.862 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.473 ' CD ' ' HZ1' ' A' ' 13' ' ' LYS . 16.6 mt-10 -60.79 -35.67 77.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -67.6 -10.5 52.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.289 0.495 . . . . 0.0 111.002 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.493 ' CG ' ' H3 ' ' A' ' 1' ' ' GLY . 3.9 tp10 -107.75 -32.25 7.71 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.629 1.172 . . . . 0.0 110.597 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -70.98 -60.35 2.28 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.649 1.98 . . . . 0.0 108.866 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -47.89 68.44 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 124.183 0.993 . . . . 0.0 110.969 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.3 mm -79.48 2.14 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.058 -174.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.85 -50.39 5.37 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 166.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -49.85 -59.16 4.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 117.658 0.208 . . . . 0.0 110.852 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.56 -22.77 65.47 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.838 -171.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HZ3' ' CD ' ' A' ' 61' ' ' GLU . 2.3 tttt -69.26 -13.01 62.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.758 0.823 . . . . 0.0 111.838 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -121.03 -14.08 8.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.296 1.438 . . . . 0.0 113.498 166.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.95 79.03 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 121.007 1.73 . . . . 0.0 108.67 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.0 t -60.88 -8.59 3.22 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.609 1.163 . . . . 0.0 113.229 171.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -156.89 58.27 0.53 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.943 1.297 . . . . 0.0 110.309 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--O 1.25 1.112 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 157.679 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' H3 ' ' C ' ' A' ' 92' ' ' GLU . . . . . . . . 0 CA--C 1.515 0.074 0 N-CA-C 105.492 -3.043 . . . . 0.0 105.492 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.94 139.87 33.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.479 1.139 . . . . 0.0 108.933 -175.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.1 p -69.33 -41.35 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 121.433 0.635 . . . . 0.0 110.509 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -72.71 -47.96 42.73 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.791 0.836 . . . . 0.0 109.526 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -53.99 -46.81 71.82 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.9 -56.79 12.55 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.252 20.3 pttt -64.9 -35.84 82.43 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.367 1.083 . . . . 0.0 112.706 -174.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -51.7 60.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.287 0.565 . . . . 0.0 109.595 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -73.14 -41.14 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -169.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -45.1 -66.6 0.38 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.864 0.866 . . . . 0.0 108.808 165.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.92 -41.23 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 O-C-N 122.001 -0.437 . . . . 0.0 109.989 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -53.93 -43.72 70.04 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.302 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -124.44 2.77 8.39 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -171.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 m -123.43 -45.43 2.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.019 0.928 . . . . 0.0 109.016 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.39 -36.39 32.51 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.062 0.945 . . . . 0.0 113.395 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -37.39 -45.34 0.69 Allowed 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.137 1.375 . . . . 0.0 111.794 170.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.1 m -101.21 -25.91 13.84 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.252 1.421 . . . . 0.0 111.85 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -133.63 81.69 1.94 Allowed 'General case' 0 C--N 1.345 0.397 0 CA-C-N 119.709 1.14 . . . . 0.0 112.804 -167.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -80.61 62.42 4.67 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 119.913 -1.742 . . . . 0.0 112.38 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -74.73 83.11 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 124.673 1.189 . . . . 0.0 109.738 171.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -137.84 -11.46 1.53 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.208 0.603 . . . . 0.0 112.034 169.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.345 0.408 0 CA-C-O 123.04 1.4 . . . . 0.0 113.179 -172.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.02 57.6 0.02 OUTLIER Glycine 0 C--N 1.315 -0.612 0 CA-C-N 112.434 -2.166 . . . . 0.0 107.844 -155.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.64 -126.84 0.35 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 108.243 -1.943 . . . . 0.0 108.243 169.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -132.73 174.99 9.72 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 171.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -76.1 -112.85 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 158.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.5 tttt 70.01 70.44 0.23 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.481 1.112 . . . . 0.0 111.564 167.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 86.49 10.43 0.2 Allowed 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 126.145 1.778 . . . . 0.0 111.353 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.61 124.13 0.88 Allowed Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 104.623 -3.391 . . . . 0.0 104.623 172.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -70.1 136.42 32.04 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 CA-C-N 120.63 2.215 . . . . 0.0 107.765 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -61.24 124.48 20.69 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 mt -75.04 57.54 0.82 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.201 1.8 . . . . 0.0 111.113 -166.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -78.55 65.32 3.8 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.346 1.858 . . . . 0.0 110.124 -169.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.31 89.99 1.81 Allowed Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.8 mt -92.12 -60.39 1.86 Allowed 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.945 0.898 . . . . 0.0 110.048 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -57.06 105.99 0.27 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.875 1.27 . . . . 0.0 110.574 -170.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.4 -18.23 51.63 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.537 -0.591 . . . . 0.0 113.294 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -81.93 121.29 26.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.07 1.435 . . . . 0.0 109.02 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.45 113.87 2.41 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.989 0.424 . . . . 0.0 111.271 174.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.5 m -65.5 169.83 5.64 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 126.823 2.049 . . . . 0.0 110.776 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.44 13.32 57.31 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 170.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -168.05 83.27 0.19 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 122.092 -0.652 . . . . 0.0 109.572 -167.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.57 134.3 19.77 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 122.92 0.488 . . . . 0.0 110.025 174.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -79.26 67.66 8.52 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.858 2.372 . . . . 0.0 111.394 -172.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.58 -75.22 0.2 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.289 -1.125 . . . . 0.0 110.289 172.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -108.74 108.1 18.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 175.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.4 t -119.34 49.61 1.33 Allowed 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.772 0.829 . . . . 0.0 110.649 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.12 -171.0 0.08 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 159.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.0 p -63.62 151.02 42.83 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.038 168.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -53.4 -39.98 64.72 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 126.532 1.933 . . . . 0.0 111.211 168.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.74 -39.24 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 118.813 0.733 . . . . 0.0 111.552 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -85.63 -37.48 19.46 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.329 0.651 . . . . 0.0 110.504 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -58.69 -38.92 79.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.942 0.877 . . . . 0.0 109.095 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -73.63 -14.14 61.12 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 124.403 1.081 . . . . 0.0 110.57 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -43.35 96.17 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.52 -0.738 . . . . 0.0 111.534 -166.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.71 37.46 68.71 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.069 0.842 . . . . 0.0 114.241 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.7 pt -92.95 -160.84 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.553 1.141 . . . . 0.0 109.232 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.6 m -138.08 34.53 2.35 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.318 1.047 . . . . 0.0 109.937 -173.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.7 m95 15.39 68.93 0.01 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.169 2.188 . . . . 0.0 113.823 -168.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.84 174.73 6.95 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.978 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -75.71 38.63 0.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.096 1.358 . . . . 0.0 113.219 -177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -133.83 -57.67 0.87 Allowed 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.568 1.947 . . . . 0.0 105.761 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 p -62.76 -41.59 99.29 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.65 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -46.22 90.56 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.571 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.7 mtt -55.39 -56.14 23.61 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.44 1.018 . . . . 0.0 111.359 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -58.79 -43.62 90.55 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.387 0.613 . . . . 0.0 110.179 -174.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -61.75 -60.59 3.43 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 123.433 0.693 . . . . 0.0 110.437 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 68' ' ' LEU . 3.9 mm? -59.75 -31.8 69.98 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.693 -0.629 . . . . 0.0 112.336 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -64.0 -51.27 65.05 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.754 0.707 . . . . 0.0 109.701 172.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -146.84 72.45 12.46 Favored Pre-proline 0 CA--C 1.533 0.29 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -167.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -69.13 -43.37 3.23 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 121.754 1.636 . . . . 0.0 111.773 -161.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -56.46 -31.31 63.87 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -79.23 -51.92 8.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 119.112 0.869 . . . . 0.0 109.038 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -50.07 -42.98 50.98 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.2 mt -126.61 106.52 23.42 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 124.711 1.205 . . . . 0.0 108.623 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -72.45 78.18 2.01 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 123.614 2.876 . . . . 0.0 110.442 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.58 38.01 0.75 Allowed Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.872 1.225 . . . . 0.0 111.929 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 t -59.13 149.71 27.26 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 162.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -82.93 -2.88 56.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 169.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.86 131.21 45.09 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.755 0.788 . . . . 0.0 109.5 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.3 mm -107.15 85.0 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -157.85 150.63 22.83 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.08 9.05 0.66 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -168.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.01 161.29 9.93 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 105.316 -3.114 . . . . 0.0 105.316 -168.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.3 tt -129.92 -49.06 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 118.422 1.111 . . . . 0.0 112.07 -164.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -166.72 -65.19 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.076 0.95 . . . . 0.0 109.451 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -167.43 -63.0 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.692 0.797 . . . . 0.0 109.182 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -163.37 -55.73 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.227 1.011 . . . . 0.0 108.652 -172.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 m -42.02 -49.45 4.68 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.658 1.583 . . . . 0.0 111.862 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.79 -35.67 77.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -67.6 -10.5 52.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.289 0.495 . . . . 0.0 111.002 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' C ' ' H3 ' ' A' ' 1' ' ' GLY . 3.9 tp10 -107.75 -32.25 7.71 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.629 1.172 . . . . 0.0 110.597 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -70.98 -60.35 2.28 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.649 1.98 . . . . 0.0 108.866 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -47.89 68.44 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 124.183 0.993 . . . . 0.0 110.969 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.3 mm -79.48 2.14 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.058 -174.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.85 -50.39 5.37 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 166.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 5.4 t80 -49.85 -59.16 4.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 117.658 0.208 . . . . 0.0 110.852 175.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 86.6 mt -61.56 -22.77 65.47 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.838 -171.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -69.26 -13.01 62.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.758 0.823 . . . . 0.0 111.838 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -121.03 -14.08 8.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.296 1.438 . . . . 0.0 113.498 166.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -61.45 -35.95 79.03 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 121.007 1.73 . . . . 0.0 108.67 169.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.0 t -60.88 -8.59 3.22 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.609 1.163 . . . . 0.0 113.229 171.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -156.89 58.27 0.53 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.943 1.297 . . . . 0.0 110.309 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--O 1.25 1.112 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 157.679 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HEC . . . . . 0.412 HMD1 HAD1 ' A' ' 105' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' H3 ' ' C ' ' A' ' 92' ' ' GLU . . . . . . . . 0 CA--C 1.515 0.074 0 N-CA-C 105.492 -3.043 . . . . 0.0 105.492 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.94 139.87 33.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.479 1.139 . . . . 0.0 108.933 -175.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.1 p -69.33 -41.35 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 121.433 0.635 . . . . 0.0 110.509 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -72.71 -47.96 42.73 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.791 0.836 . . . . 0.0 109.526 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -53.99 -46.81 71.82 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.9 -56.79 12.55 Favored Glycine 0 C--N 1.336 0.557 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.252 20.3 pttt -64.9 -35.84 82.43 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.367 1.083 . . . . 0.0 112.706 -174.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -51.7 60.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.287 0.565 . . . . 0.0 109.595 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -73.14 -41.14 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -169.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -45.1 -66.6 0.38 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.864 0.866 . . . . 0.0 108.808 165.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.92 -41.23 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 O-C-N 122.001 -0.437 . . . . 0.0 109.989 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -53.93 -43.72 70.04 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.302 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -124.44 2.77 8.39 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -171.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 m -123.43 -45.43 2.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.019 0.928 . . . . 0.0 109.016 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.39 -36.39 32.51 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.062 0.945 . . . . 0.0 113.395 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -37.39 -45.34 0.69 Allowed 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.137 1.375 . . . . 0.0 111.794 170.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.1 m -101.21 -25.91 13.84 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.252 1.421 . . . . 0.0 111.85 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -133.63 81.69 1.94 Allowed 'General case' 0 C--N 1.345 0.397 0 CA-C-N 119.709 1.14 . . . . 0.0 112.804 -167.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -80.61 62.42 4.67 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 119.913 -1.742 . . . . 0.0 112.38 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -74.73 83.11 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 124.673 1.189 . . . . 0.0 109.738 171.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -137.84 -11.46 1.53 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.208 0.603 . . . . 0.0 112.034 169.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.345 0.408 0 CA-C-O 123.04 1.4 . . . . 0.0 113.179 -172.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.02 57.6 0.02 OUTLIER Glycine 0 C--N 1.315 -0.612 0 CA-C-N 112.434 -2.166 . . . . 0.0 107.844 -155.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.64 -126.84 0.35 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 108.243 -1.943 . . . . 0.0 108.243 169.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -132.73 174.99 9.72 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 171.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -76.1 -112.85 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 158.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.5 tttt 70.01 70.44 0.23 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.481 1.112 . . . . 0.0 111.564 167.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 86.49 10.43 0.2 Allowed 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 126.145 1.778 . . . . 0.0 111.353 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.61 124.13 0.88 Allowed Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 104.623 -3.391 . . . . 0.0 104.623 172.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -70.1 136.42 32.04 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 CA-C-N 120.63 2.215 . . . . 0.0 107.765 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -61.24 124.48 20.69 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 mt -75.04 57.54 0.82 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.201 1.8 . . . . 0.0 111.113 -166.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -78.55 65.32 3.8 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.346 1.858 . . . . 0.0 110.124 -169.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.31 89.99 1.81 Allowed Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.8 mt -92.12 -60.39 1.86 Allowed 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.945 0.898 . . . . 0.0 110.048 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -57.06 105.99 0.27 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.875 1.27 . . . . 0.0 110.574 -170.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.4 -18.23 51.63 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.537 -0.591 . . . . 0.0 113.294 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -81.93 121.29 26.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.07 1.435 . . . . 0.0 109.02 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.45 113.87 2.41 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.989 0.424 . . . . 0.0 111.271 174.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.5 m -65.5 169.83 5.64 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 126.823 2.049 . . . . 0.0 110.776 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.44 13.32 57.31 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 170.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -168.05 83.27 0.19 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 122.092 -0.652 . . . . 0.0 109.572 -167.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.57 134.3 19.77 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 122.92 0.488 . . . . 0.0 110.025 174.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -79.26 67.66 8.52 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.858 2.372 . . . . 0.0 111.394 -172.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.58 -75.22 0.2 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.289 -1.125 . . . . 0.0 110.289 172.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -108.74 108.1 18.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 175.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.4 t -119.34 49.61 1.33 Allowed 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.772 0.829 . . . . 0.0 110.649 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.12 -171.0 0.08 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 159.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.0 p -63.62 151.02 42.83 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.038 168.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -53.4 -39.98 64.72 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 126.532 1.933 . . . . 0.0 111.211 168.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.74 -39.24 65.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 118.813 0.733 . . . . 0.0 111.552 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -85.63 -37.48 19.46 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.329 0.651 . . . . 0.0 110.504 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -58.69 -38.92 79.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.942 0.877 . . . . 0.0 109.095 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -73.63 -14.14 61.12 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 124.403 1.081 . . . . 0.0 110.57 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -43.35 96.17 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.52 -0.738 . . . . 0.0 111.534 -166.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.71 37.46 68.71 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.069 0.842 . . . . 0.0 114.241 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.7 pt -92.95 -160.84 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.553 1.141 . . . . 0.0 109.232 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.6 m -138.08 34.53 2.35 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.318 1.047 . . . . 0.0 109.937 -173.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.7 m95 15.39 68.93 0.01 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.169 2.188 . . . . 0.0 113.823 -168.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.84 174.73 6.95 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.978 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -75.71 38.63 0.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.096 1.358 . . . . 0.0 113.219 -177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -133.83 -57.67 0.87 Allowed 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.568 1.947 . . . . 0.0 105.761 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 p -62.76 -41.59 99.29 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.65 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -46.22 90.56 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.571 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.7 mtt -55.39 -56.14 23.61 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.44 1.018 . . . . 0.0 111.359 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -58.79 -43.62 90.55 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.387 0.613 . . . . 0.0 110.179 -174.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -61.75 -60.59 3.43 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 123.433 0.693 . . . . 0.0 110.437 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 68' ' ' LEU . 3.9 mm? -59.75 -31.8 69.98 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.693 -0.629 . . . . 0.0 112.336 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -64.0 -51.27 65.05 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.754 0.707 . . . . 0.0 109.701 172.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -146.84 72.45 12.46 Favored Pre-proline 0 CA--C 1.533 0.29 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -167.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -69.13 -43.37 3.23 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 121.754 1.636 . . . . 0.0 111.773 -161.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -56.46 -31.31 63.87 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -79.23 -51.92 8.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 119.112 0.869 . . . . 0.0 109.038 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -50.07 -42.98 50.98 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.2 mt -126.61 106.52 23.42 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 124.711 1.205 . . . . 0.0 108.623 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -72.45 78.18 2.01 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 123.614 2.876 . . . . 0.0 110.442 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.58 38.01 0.75 Allowed Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.872 1.225 . . . . 0.0 111.929 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 t -59.13 149.71 27.26 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 162.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -82.93 -2.88 56.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.692 169.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.86 131.21 45.09 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.755 0.788 . . . . 0.0 109.5 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.3 mm -107.15 85.0 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -157.85 150.63 22.83 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.08 9.05 0.66 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -168.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.01 161.29 9.93 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 105.316 -3.114 . . . . 0.0 105.316 -168.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.3 tt -129.92 -49.06 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 118.422 1.111 . . . . 0.0 112.07 -164.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -166.72 -65.19 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.076 0.95 . . . . 0.0 109.451 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -167.43 -63.0 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.692 0.797 . . . . 0.0 109.182 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -163.37 -55.73 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.227 1.011 . . . . 0.0 108.652 -172.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 m -42.02 -49.45 4.68 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.658 1.583 . . . . 0.0 111.862 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.79 -35.67 77.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -67.6 -10.5 52.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.289 0.495 . . . . 0.0 111.002 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' C ' ' H3 ' ' A' ' 1' ' ' GLY . 3.9 tp10 -107.75 -32.25 7.71 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.629 1.172 . . . . 0.0 110.597 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -70.98 -60.35 2.28 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.649 1.98 . . . . 0.0 108.866 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -47.89 68.44 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 124.183 0.993 . . . . 0.0 110.969 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.3 mm -79.48 2.14 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.058 -174.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.85 -50.39 5.37 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 166.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 5.4 t80 -49.85 -59.16 4.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 117.658 0.208 . . . . 0.0 110.852 175.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 86.6 mt -61.56 -22.77 65.47 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.838 -171.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -69.26 -13.01 62.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.758 0.823 . . . . 0.0 111.838 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -121.03 -14.08 8.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.296 1.438 . . . . 0.0 113.498 166.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -61.45 -35.95 79.03 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 121.007 1.73 . . . . 0.0 108.67 169.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.0 t -60.88 -8.59 3.22 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.609 1.163 . . . . 0.0 113.229 171.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -156.89 58.27 0.53 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.943 1.297 . . . . 0.0 110.309 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--O 1.25 1.112 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 157.679 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HEC . . . . . 0.412 HAD1 HMD1 ' A' ' 105' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_