data_1itm_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 1itm _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 ' 0' ' ' MET . . . . . . . . . . . . . 71.8 mtm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -141.08 156.06 46.05 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 123.726 0.641 . . . . 0.0 112.15 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.511 ' N ' ' CA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -79.01 -42.01 27.57 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 126.064 1.746 . . . . 0.0 109.915 0.21 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.511 ' CA ' ' N ' ' A' ' 2' ' ' LYS 0.258 7.2 p -50.05 -39.83 43.26 Favored 'General case' 0 N--CA 1.494 1.769 1 N-CA-C 132.603 8.001 . . . . 0.0 132.603 -0.086 49.328 -96.699 -91.996 103.043 2.019 104.599 149.315 64.927 4 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.418 ' N ' ' HB3' ' A' ' 2' ' ' LYS . 37.2 t70 -148.63 167.21 26.06 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.952 1.358 . . . . 0.0 110.487 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.57 -47.34 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 112.32 -2.218 . . . . 0.0 110.782 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.418 ' HG1' ' CD1' ' A' ' 93' ' ' LEU . 10.1 t -48.93 -48.82 42.47 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.467 HD22 ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -49.37 -70.82 0.08 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 125.381 1.676 . . . . 0.0 109.07 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -36.41 -56.54 0.79 Allowed 'General case' 0 N--CA 1.507 2.391 0 O-C-N 125.118 1.511 . . . . 0.0 111.794 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.83 -60.13 3.72 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 122.691 1.234 . . . . 0.0 108.871 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 ' CD1' HD13 ' A' ' 93' ' ' LEU . 11.1 mt -44.65 -66.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 CA-C-N 113.261 -1.79 . . . . 0.0 108.92 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.4 mt -36.63 -63.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 123.937 0.773 . . . . 0.0 109.61 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -50.12 -45.31 52.8 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 123.775 0.672 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.6 m -63.65 -42.51 98.1 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.16 -44.29 72.55 Favored 'General case' 0 N--CA 1.508 2.444 0 CA-C-O 123.266 1.508 . . . . 0.0 108.023 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -48.77 -65.98 0.48 Allowed 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 112.375 -2.193 . . . . 0.0 107.822 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -44.89 -65.1 0.57 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 82' ' ' PHE . 70.9 mt -37.59 -44.79 0.71 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.2 p -85.91 -49.67 7.68 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -39.85 -48.13 2.24 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 124.707 1.255 . . . . 0.0 110.411 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -119.32 92.16 3.73 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 113.481 -1.691 . . . . 0.0 107.514 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -90.35 172.91 8.42 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.474 ' HG1' ' HG1' ' A' ' 25' ' ' THR . 46.1 p -132.19 -152.22 0.49 Allowed 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.7 mt -102.28 4.93 39.71 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 113.052 -1.886 . . . . 0.0 106.79 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.2 m -114.04 -14.18 12.42 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.441 -179.888 -50.064 -80.457 99.801 105.424 2.02 102.547 109.383 74.227 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.474 ' HG1' ' HG1' ' A' ' 22' ' ' THR . 0.0 OUTLIER -86.91 19.62 2.94 Favored 'General case' 0 N--CA 1.505 2.31 0 C-N-CA 118.609 -1.236 . . . . 0.0 109.561 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 16.3 mp0 -121.3 15.84 11.39 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -91.24 64.58 5.24 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 123.824 1.774 . . . . 0.0 107.607 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -18.77 114.71 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 109.115 -3.675 . . . . 0.0 115.799 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG11 ' CD1' ' A' ' 55' ' ' PHE . 3.2 m -108.93 -179.04 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 CA-C-N 110.662 -2.972 . . . . 0.0 106.559 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.7 m -82.57 132.71 35.19 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 119.425 -0.91 . . . . 0.0 113.172 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -91.49 67.49 5.59 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.096 -1.865 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -50.04 -20.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -60.3 -36.95 79.07 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.27 24.85 1.77 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 123.912 0.757 . . . . 0.0 111.64 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' HB3' ' HB1' ' A' ' 104' ' ' ALA . . . -149.03 10.35 0.79 Allowed 'General case' 0 N--CA 1.505 2.279 0 CA-C-N 114.382 -1.281 . . . . 0.0 107.844 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.411 ' HG ' HG21 ' A' ' 39' ' ' THR . 45.2 t -90.17 -5.7 56.15 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -16.9 -61.58 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 127.183 2.193 . . . . 0.0 115.51 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -127.81 41.64 3.47 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 112.229 -2.26 . . . . 0.0 115.483 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.687 ' HG1' ' H ' ' A' ' 40' ' ' THR . 4.9 t -126.0 -166.38 1.56 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.687 ' H ' ' HG1' ' A' ' 39' ' ' THR . 76.5 p -118.25 156.88 28.05 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-N 113.709 -1.587 . . . . 0.0 112.073 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -41.22 -52.16 3.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 124.463 1.102 . . . . 0.0 110.809 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -51.72 -60.27 3.35 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.798 0.809 . . . . 0.0 111.401 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -51.11 -42.79 60.9 Favored 'General case' 0 N--CA 1.502 2.153 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.173 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.6 m -56.47 -55.14 37.46 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 102.647 -3.094 . . . . 0.0 102.647 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -59.8 -18.94 47.56 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 112.596 -2.093 . . . . 0.0 112.756 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.453 ' HB2' HD21 ' A' ' 96' ' ' LEU . 10.7 t -80.41 -52.61 7.46 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.953 -164.416 -131.262 85.413 104.686 2.019 104.968 82.309 -68.74 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -60.13 -48.32 82.2 Favored 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 102.252 -3.24 . . . . 0.0 102.252 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.97 -64.66 0.59 Allowed 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.834 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -42.87 -60.92 1.42 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 124.954 1.409 . . . . 0.0 108.587 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.1 m -46.55 -63.81 0.92 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 125.153 1.533 . . . . 0.0 110.291 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.5 t -40.94 -60.32 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 CA-C-N 114.07 -1.423 . . . . 0.0 112.111 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -58.53 -57.15 14.24 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-N 114.275 -1.329 . . . . 0.0 110.855 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -38.9 -61.6 0.72 Allowed 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 122.127 0.965 . . . . 0.0 109.917 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -52.51 -61.09 2.5 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 112.501 -2.136 . . . . 0.0 109.545 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CE2' HD21 ' A' ' 109' ' ' LEU . 86.9 t80 -40.34 -57.74 1.69 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 57' ' ' SER . 3.8 p90 -66.72 -51.85 51.23 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 117.262 -1.775 . . . . 0.0 110.894 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.409 ' N ' ' CD1' ' A' ' 56' ' ' TYR . 32.9 t -46.28 -48.65 18.02 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -68.99 -36.6 78.03 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.416 ' CD2' ' CE1' ' A' ' 55' ' ' PHE . 29.1 m-70 -79.2 -23.98 43.46 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' HIS . 53.2 mt-10 -25.09 -47.96 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.622 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -122.31 56.05 1.12 Allowed 'General case' 0 N--CA 1.498 1.975 0 CA-C-N 113.141 -1.845 . . . . 0.0 111.805 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -36.01 14.45 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 113.341 -1.754 . . . . 0.0 109.296 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.535 ' H ' HD23 ' A' ' 66' ' ' LEU . 58.7 p 24.87 52.52 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 109.631 -3.44 . . . . 0.0 116.119 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -120.0 -40.99 2.68 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 102.102 -3.296 . . . . 0.0 102.102 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.8 -41.57 7.99 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.676 74.227 109.383 99.801 102.547 2.02 105.424 -80.457 -50.064 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 63' ' ' THR . 1.3 pt? -90.22 23.63 2.82 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.873 0.844 . . . . 0.0 111.308 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.84 58.85 0.68 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 104.703 -3.359 . . . . 0.0 104.703 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 72' ' ' GLN . . . -102.89 -50.71 3.45 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 110.842 -2.679 . . . . 0.0 108.65 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.484 HG21 ' H ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -158.42 -90.3 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 113.375 -1.738 . . . . 0.0 110.761 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.484 ' H ' HG21 ' A' ' 69' ' ' THR . . . -149.42 -51.25 0.15 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -52.65 -61.8 2.05 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 114.44 -1.255 . . . . 0.0 108.469 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 68' ' ' ALA . 86.8 mm-40 -50.48 -49.75 54.55 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.949 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -43.67 -60.62 1.7 Allowed 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.543 ' HD1' HE21 ' A' ' 78' ' ' GLN . 24.9 t-80 -57.46 -45.0 85.27 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.411 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -47.82 -55.04 10.6 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 121.979 0.895 . . . . 0.0 110.623 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.425 ' ND1' HD11 ' A' ' 66' ' ' LEU . 11.9 t-80 -58.27 -49.81 75.8 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.82 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -42.82 -57.62 2.71 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.543 HE21 ' HD1' ' A' ' 74' ' ' HIS . 67.6 mt-30 -50.11 -57.5 7.55 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.298 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mp -45.0 -61.02 1.79 Allowed 'General case' 0 C--O 1.209 -1.06 0 O-C-N 123.939 0.774 . . . . 0.0 112.301 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.4 mm -44.74 -55.09 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 123.73 0.644 . . . . 0.0 111.391 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.9 mtm105 -46.86 -55.2 8.38 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 124.104 0.877 . . . . 0.0 109.171 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.47 ' HB2' HD23 ' A' ' 17' ' ' LEU . 42.0 m-85 -59.58 -46.85 87.71 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.214 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.5 mt -50.57 -52.26 40.7 Favored 'General case' 0 N--CA 1.507 2.384 0 CA-C-N 119.328 0.967 . . . . 0.0 108.537 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -53.91 -53.25 55.35 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -46.13 -49.39 16.75 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -48.01 -68.65 0.17 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 124.558 1.161 . . . . 0.0 108.077 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -38.25 -61.22 0.7 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 124.926 1.391 . . . . 0.0 113.351 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -43.93 -56.17 4.1 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -75.07 -45.26 42.58 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.4 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.428 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 8.4 tt -43.33 -52.86 5.6 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 58.9 t90 -39.94 -49.67 2.47 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 124.921 1.388 . . . . 0.0 110.196 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -48.89 -60.72 5.81 Favored Glycine 0 N--CA 1.497 2.755 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.388 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.448 ' CD2' ' SD ' ' A' ' 120' ' ' MET . 6.0 mp -52.91 -56.49 15.49 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 124.552 0.795 . . . . 0.0 109.831 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HB3' ' CD1' ' A' ' 96' ' ' LEU . . . -39.11 -66.17 0.31 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 125.618 1.824 . . . . 0.0 109.506 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.12 34.25 13.08 Favored Glycine 0 N--CA 1.496 2.634 0 C-N-CA 121.052 -0.595 . . . . 0.0 113.069 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 94' ' ' ALA . 1.5 mp -128.67 -127.34 0.22 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -148.78 -59.51 0.23 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.9 p -177.56 162.26 1.8 Allowed 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.568 -1.651 . . . . 0.0 106.958 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 94.2 m -149.27 164.63 20.26 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.939 -68.74 82.309 85.413 104.968 2.019 104.686 -131.262 -164.416 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -69.69 -179.82 3.14 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 123.013 2.476 . . . . 0.0 108.883 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.7 p -116.12 115.72 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -111.37 64.29 0.61 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -21.15 144.94 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 35' ' ' ALA . . . -112.87 -77.87 0.58 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -149.93 -172.08 4.07 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 102.193 -3.262 . . . . 0.0 102.193 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -112.96 148.69 34.51 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.551 -1.26 . . . . 0.0 112.783 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.9 t -124.76 130.96 53.42 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 111.84 -2.437 . . . . 0.0 108.488 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 110' ' ' GLU . 13.3 p -82.98 91.56 7.18 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 103.425 -2.806 . . . . 0.0 103.425 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.527 HD21 ' CE2' ' A' ' 55' ' ' PHE . 15.7 tp 3.49 -61.15 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 108' ' ' THR . 10.7 pt-20 -43.19 -45.36 5.59 Favored 'General case' 0 N--CA 1.508 2.431 0 CA-C-N 120.127 1.33 . . . . 0.0 110.023 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -63.31 -61.74 2.15 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 114.024 -1.443 . . . . 0.0 108.655 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -39.63 -53.9 2.09 Favored 'General case' 0 N--CA 1.507 2.394 0 CA-C-O 122.813 1.292 . . . . 0.0 109.525 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 17' ' ' LEU . 80.8 mt -54.94 -62.41 1.67 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 112.619 -2.082 . . . . 0.0 108.987 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -40.47 -47.67 2.67 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 123.583 0.552 . . . . 0.0 111.651 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -58.64 -60.78 3.28 Favored 'General case' 0 N--CA 1.505 2.309 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.369 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.9 tp -46.94 -52.35 14.78 Favored 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 114.739 -1.118 . . . . 0.0 110.29 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -47.58 -63.28 1.1 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.541 -1.663 . . . . 0.0 109.112 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.3 m -47.32 -58.32 4.26 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.865 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -43.29 -63.48 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 CA-C-O 122.044 0.926 . . . . 0.0 111.277 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.448 ' SD ' ' CD2' ' A' ' 93' ' ' LEU . 36.3 mmt -48.67 -53.46 18.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 113.602 -1.635 . . . . 0.0 112.388 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -55.2 -48.21 74.17 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -56.87 -53.45 57.8 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 127' ' ' CYS . 36.0 mttp -69.57 2.19 3.4 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.562 ' O ' ' SG ' ' A' ' 127' ' ' CYS . 62.7 t80 -91.64 -42.99 9.88 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.2 m -91.0 -36.32 14.15 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 113.108 -1.86 . . . . 0.0 115.672 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -95.72 46.14 1.09 Allowed 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 124' ' ' TYR . 31.7 p -136.13 -36.59 0.74 Allowed 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 -179.706 64.927 149.315 -91.996 104.599 2.019 103.043 -96.699 49.328 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.479 ' HA ' ' H ' ' A' ' 127' ' ' CYS . 92.0 p -128.64 -170.45 2.26 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 125.099 3.59 . . . . 0.0 107.025 0.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 N--CA 1.503 2.207 0 CA-C-N 123.113 2.688 . . . . 0.0 112.984 0.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 71.8 mtm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -141.08 156.06 46.05 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 123.726 0.641 . . . . 0.0 112.15 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.866 ' N ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -79.01 -42.01 27.57 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 126.064 1.746 . . . . 0.0 109.915 0.21 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.866 ' HA ' ' N ' ' A' ' 2' ' ' LYS 0.258 7.2 p -50.05 -39.83 43.26 Favored 'General case' 0 N--CA 1.494 1.769 1 N-CA-C 132.603 8.001 . . . . 0.0 132.603 -0.086 49.328 -96.699 -91.996 103.043 2.019 104.599 149.315 64.927 4 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 2' ' ' LYS . 37.2 t70 -148.63 167.21 26.06 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.952 1.358 . . . . 0.0 110.487 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.57 -47.34 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 112.32 -2.218 . . . . 0.0 110.782 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -48.93 -48.82 42.47 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.602 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -49.37 -70.82 0.08 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 125.381 1.676 . . . . 0.0 109.07 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -36.41 -56.54 0.79 Allowed 'General case' 0 N--CA 1.507 2.391 0 O-C-N 125.118 1.511 . . . . 0.0 111.794 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.83 -60.13 3.72 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 122.691 1.234 . . . . 0.0 108.871 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 93' ' ' LEU . 11.1 mt -44.65 -66.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 CA-C-N 113.261 -1.79 . . . . 0.0 108.92 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.4 mt -36.63 -63.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 123.937 0.773 . . . . 0.0 109.61 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -50.12 -45.31 52.8 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 123.775 0.672 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.6 m -63.65 -42.51 98.1 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' CD1' HG23 ' A' ' 10' ' ' ILE . 8.1 mp -69.16 -44.29 72.55 Favored 'General case' 0 N--CA 1.508 2.444 0 CA-C-O 123.266 1.508 . . . . 0.0 108.023 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -48.77 -65.98 0.48 Allowed 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 112.375 -2.193 . . . . 0.0 107.822 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -44.89 -65.1 0.57 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 82' ' ' PHE . 70.9 mt -37.59 -44.79 0.71 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.2 p -85.91 -49.67 7.68 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -39.85 -48.13 2.24 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 124.707 1.255 . . . . 0.0 110.411 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -119.32 92.16 3.73 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 113.481 -1.691 . . . . 0.0 107.514 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -90.35 172.91 8.42 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.446 HG22 ' CD ' ' A' ' 75' ' ' ARG . 46.1 p -132.19 -152.22 0.49 Allowed 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.7 mt -102.28 4.93 39.71 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 113.052 -1.886 . . . . 0.0 106.79 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.2 m -114.04 -14.18 12.42 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.441 -179.888 -50.064 -80.457 99.801 105.424 2.02 102.547 109.383 74.227 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 19.62 2.94 Favored 'General case' 0 N--CA 1.505 2.31 0 C-N-CA 118.609 -1.236 . . . . 0.0 109.561 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 16.3 mp0 -121.3 15.84 11.39 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -91.24 64.58 5.24 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 123.824 1.774 . . . . 0.0 107.607 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 108' ' ' THR . 45.4 p -18.77 114.71 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 109.115 -3.675 . . . . 0.0 115.799 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 55' ' ' PHE . 3.2 m -108.93 -179.04 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 CA-C-N 110.662 -2.972 . . . . 0.0 106.559 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.7 m -82.57 132.71 35.19 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 119.425 -0.91 . . . . 0.0 113.172 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -91.49 67.49 5.59 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.096 -1.865 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 33' ' ' PHE . 2.7 pp -50.04 -20.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.402 ' N ' HD12 ' A' ' 32' ' ' ILE . 52.8 m-85 -60.3 -36.95 79.07 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.27 24.85 1.77 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 123.912 0.757 . . . . 0.0 111.64 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 104' ' ' ALA . . . -149.03 10.35 0.79 Allowed 'General case' 0 N--CA 1.505 2.279 0 CA-C-N 114.382 -1.281 . . . . 0.0 107.844 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.2 t -90.17 -5.7 56.15 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -16.9 -61.58 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 127.183 2.193 . . . . 0.0 115.51 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -127.81 41.64 3.47 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 112.229 -2.26 . . . . 0.0 115.483 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -126.0 -166.38 1.56 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.5 p -118.25 156.88 28.05 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-N 113.709 -1.587 . . . . 0.0 112.073 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -41.22 -52.16 3.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 124.463 1.102 . . . . 0.0 110.809 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -51.72 -60.27 3.35 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.798 0.809 . . . . 0.0 111.401 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 48.8 mt-10 -51.11 -42.79 60.9 Favored 'General case' 0 N--CA 1.502 2.153 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.173 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.6 m -56.47 -55.14 37.46 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 102.647 -3.094 . . . . 0.0 102.647 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -59.8 -18.94 47.56 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 112.596 -2.093 . . . . 0.0 112.756 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.602 ' HB2' HD22 ' A' ' 96' ' ' LEU . 10.7 t -80.41 -52.61 7.46 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.953 -164.416 -131.262 85.413 104.686 2.019 104.968 82.309 -68.74 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 43' ' ' GLU . 59.7 mtt85 -60.13 -48.32 82.2 Favored 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 102.252 -3.24 . . . . 0.0 102.252 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 45' ' ' PHE . . . -42.97 -64.66 0.59 Allowed 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.834 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -42.87 -60.92 1.42 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 124.954 1.409 . . . . 0.0 108.587 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.1 m -46.55 -63.81 0.92 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 125.153 1.533 . . . . 0.0 110.291 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.5 t -40.94 -60.32 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 CA-C-N 114.07 -1.423 . . . . 0.0 112.111 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -58.53 -57.15 14.24 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-N 114.275 -1.329 . . . . 0.0 110.855 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -38.9 -61.6 0.72 Allowed 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 122.127 0.965 . . . . 0.0 109.917 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -52.51 -61.09 2.5 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 112.501 -2.136 . . . . 0.0 109.545 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CE2' HD22 ' A' ' 109' ' ' LEU . 86.9 t80 -40.34 -57.74 1.69 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 57' ' ' SER . 3.8 p90 -66.72 -51.85 51.23 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 117.262 -1.775 . . . . 0.0 110.894 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.409 ' N ' ' CD1' ' A' ' 56' ' ' TYR . 32.9 t -46.28 -48.65 18.02 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -68.99 -36.6 78.03 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.416 ' CD2' ' CE1' ' A' ' 55' ' ' PHE . 29.1 m-70 -79.2 -23.98 43.46 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' HIS . 53.2 mt-10 -25.09 -47.96 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.622 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -122.31 56.05 1.12 Allowed 'General case' 0 N--CA 1.498 1.975 0 CA-C-N 113.141 -1.845 . . . . 0.0 111.805 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -36.01 14.45 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 113.341 -1.754 . . . . 0.0 109.296 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.713 ' H ' HD21 ' A' ' 66' ' ' LEU . 58.7 p 24.87 52.52 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 109.631 -3.44 . . . . 0.0 116.119 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -120.0 -40.99 2.68 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 102.102 -3.296 . . . . 0.0 102.102 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.8 -41.57 7.99 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.676 74.227 109.383 99.801 102.547 2.02 105.424 -80.457 -50.064 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.713 HD21 ' H ' ' A' ' 63' ' ' THR . 1.3 pt? -90.22 23.63 2.82 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.873 0.844 . . . . 0.0 111.308 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.84 58.85 0.68 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 104.703 -3.359 . . . . 0.0 104.703 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . . . -102.89 -50.71 3.45 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 110.842 -2.679 . . . . 0.0 108.65 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.57 HG23 ' H ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -158.42 -90.3 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 113.375 -1.738 . . . . 0.0 110.761 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.57 ' H ' HG23 ' A' ' 69' ' ' THR . . . -149.42 -51.25 0.15 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -52.65 -61.8 2.05 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 114.44 -1.255 . . . . 0.0 108.469 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 25.9 mm100 -50.48 -49.75 54.55 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.949 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -43.67 -60.62 1.7 Allowed 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -57.46 -45.0 85.27 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.411 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' CD ' HG22 ' A' ' 22' ' ' THR . 8.6 ttm-85 -47.82 -55.04 10.6 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 121.979 0.895 . . . . 0.0 110.623 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.447 ' ND1' HD13 ' A' ' 66' ' ' LEU . 11.9 t-80 -58.27 -49.81 75.8 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.82 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -42.82 -57.62 2.71 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.412 ' HA ' ' HE ' ' A' ' 81' ' ' ARG . 67.6 mt-30 -50.11 -57.5 7.55 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.298 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mp -45.0 -61.02 1.79 Allowed 'General case' 0 C--O 1.209 -1.06 0 O-C-N 123.939 0.774 . . . . 0.0 112.301 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.4 mm -44.74 -55.09 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 123.73 0.644 . . . . 0.0 111.391 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 78' ' ' GLN . 50.9 mtm105 -46.86 -55.2 8.38 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 124.104 0.877 . . . . 0.0 109.171 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.686 ' HB2' HD21 ' A' ' 17' ' ' LEU . 42.0 m-85 -59.58 -46.85 87.71 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.214 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.5 mt -50.57 -52.26 40.7 Favored 'General case' 0 N--CA 1.507 2.384 0 CA-C-N 119.328 0.967 . . . . 0.0 108.537 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -53.91 -53.25 55.35 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -46.13 -49.39 16.75 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -48.01 -68.65 0.17 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 124.558 1.161 . . . . 0.0 108.077 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -38.25 -61.22 0.7 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 124.926 1.391 . . . . 0.0 113.351 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -43.93 -56.17 4.1 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -75.07 -45.26 42.58 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.4 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.435 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 8.4 tt -43.33 -52.86 5.6 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.403 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 58.9 t90 -39.94 -49.67 2.47 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 124.921 1.388 . . . . 0.0 110.196 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -48.89 -60.72 5.81 Favored Glycine 0 N--CA 1.497 2.755 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.388 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.586 ' H ' HD12 ' A' ' 93' ' ' LEU . 6.0 mp -52.91 -56.49 15.49 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 124.552 0.795 . . . . 0.0 109.831 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 96' ' ' LEU . . . -39.11 -66.17 0.31 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 125.618 1.824 . . . . 0.0 109.506 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.12 34.25 13.08 Favored Glycine 0 N--CA 1.496 2.634 0 C-N-CA 121.052 -0.595 . . . . 0.0 113.069 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 46' ' ' CYS . 1.5 mp -128.67 -127.34 0.22 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -148.78 -59.51 0.23 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.9 p -177.56 162.26 1.8 Allowed 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.568 -1.651 . . . . 0.0 106.958 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 94.2 m -149.27 164.63 20.26 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.939 -68.74 82.309 85.413 104.968 2.019 104.686 -131.262 -164.416 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -69.69 -179.82 3.14 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 123.013 2.476 . . . . 0.0 108.883 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.7 p -116.12 115.72 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -111.37 64.29 0.61 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -21.15 144.94 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . . . -112.87 -77.87 0.58 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.422 ' H ' ' HB3' ' A' ' 104' ' ' ALA . 66.7 m-80 -149.93 -172.08 4.07 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 102.193 -3.262 . . . . 0.0 102.193 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -112.96 148.69 34.51 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.551 -1.26 . . . . 0.0 112.783 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.9 t -124.76 130.96 53.42 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 111.84 -2.437 . . . . 0.0 108.488 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 28' ' ' THR . 13.3 p -82.98 91.56 7.18 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 103.425 -2.806 . . . . 0.0 103.425 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 55' ' ' PHE . 15.7 tp 3.49 -61.15 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 108' ' ' THR . 10.7 pt-20 -43.19 -45.36 5.59 Favored 'General case' 0 N--CA 1.508 2.431 0 CA-C-N 120.127 1.33 . . . . 0.0 110.023 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -63.31 -61.74 2.15 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 114.024 -1.443 . . . . 0.0 108.655 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -39.63 -53.9 2.09 Favored 'General case' 0 N--CA 1.507 2.394 0 CA-C-O 122.813 1.292 . . . . 0.0 109.525 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 17' ' ' LEU . 80.8 mt -54.94 -62.41 1.67 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 112.619 -2.082 . . . . 0.0 108.987 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -40.47 -47.67 2.67 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 123.583 0.552 . . . . 0.0 111.651 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -58.64 -60.78 3.28 Favored 'General case' 0 N--CA 1.505 2.309 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.369 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.9 tp -46.94 -52.35 14.78 Favored 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 114.739 -1.118 . . . . 0.0 110.29 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.415 ' N ' HD23 ' A' ' 14' ' ' LEU . 50.5 tttm -47.58 -63.28 1.1 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.541 -1.663 . . . . 0.0 109.112 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.3 m -47.32 -58.32 4.26 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.865 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -43.29 -63.48 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 CA-C-O 122.044 0.926 . . . . 0.0 111.277 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.455 ' SD ' HD22 ' A' ' 93' ' ' LEU . 36.3 mmt -48.67 -53.46 18.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 113.602 -1.635 . . . . 0.0 112.388 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -55.2 -48.21 74.17 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -56.87 -53.45 57.8 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 127' ' ' CYS . 36.0 mttp -69.57 2.19 3.4 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.562 ' O ' ' SG ' ' A' ' 127' ' ' CYS . 62.7 t80 -91.64 -42.99 9.88 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.2 m -91.0 -36.32 14.15 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 113.108 -1.86 . . . . 0.0 115.672 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -95.72 46.14 1.09 Allowed 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 124' ' ' TYR . 31.7 p -136.13 -36.59 0.74 Allowed 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 -179.706 64.927 149.315 -91.996 104.599 2.019 103.043 -96.699 49.328 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.56 ' HA ' ' H ' ' A' ' 127' ' ' CYS . 92.0 p -128.64 -170.45 2.26 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 125.099 3.59 . . . . 0.0 107.025 0.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 128' ' ' SER . 87.8 p . . . . . 0 N--CA 1.503 2.207 0 CA-C-N 123.113 2.688 . . . . 0.0 112.984 0.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 71.8 mtm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -141.08 156.06 46.05 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 123.726 0.641 . . . . 0.0 112.15 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.866 ' N ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -79.01 -42.01 27.57 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 126.064 1.746 . . . . 0.0 109.915 0.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.866 ' HA ' ' N ' ' A' ' 2' ' ' LYS 0.258 7.2 p -50.05 -39.83 43.26 Favored 'General case' 0 N--CA 1.494 1.769 1 N-CA-C 132.603 8.001 . . . . 0.0 132.603 -0.086 49.328 -96.699 -91.996 103.043 2.019 104.599 149.315 64.927 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.522 ' N ' ' HB3' ' A' ' 2' ' ' LYS . 37.2 t70 -148.63 167.21 26.06 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.952 1.358 . . . . 0.0 110.487 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.57 -47.34 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 112.32 -2.218 . . . . 0.0 110.782 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -48.93 -48.82 42.47 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.602 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -49.37 -70.82 0.08 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 125.381 1.676 . . . . 0.0 109.07 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -36.41 -56.54 0.79 Allowed 'General case' 0 N--CA 1.507 2.391 0 O-C-N 125.118 1.511 . . . . 0.0 111.794 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.83 -60.13 3.72 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 122.691 1.234 . . . . 0.0 108.871 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 93' ' ' LEU . 11.1 mt -44.65 -66.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 CA-C-N 113.261 -1.79 . . . . 0.0 108.92 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.4 mt -36.63 -63.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 123.937 0.773 . . . . 0.0 109.61 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -50.12 -45.31 52.8 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 123.775 0.672 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.6 m -63.65 -42.51 98.1 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' CD1' HG23 ' A' ' 10' ' ' ILE . 8.1 mp -69.16 -44.29 72.55 Favored 'General case' 0 N--CA 1.508 2.444 0 CA-C-O 123.266 1.508 . . . . 0.0 108.023 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -48.77 -65.98 0.48 Allowed 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 112.375 -2.193 . . . . 0.0 107.822 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -44.89 -65.1 0.57 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 82' ' ' PHE . 70.9 mt -37.59 -44.79 0.71 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.2 p -85.91 -49.67 7.68 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -39.85 -48.13 2.24 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 124.707 1.255 . . . . 0.0 110.411 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -119.32 92.16 3.73 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 113.481 -1.691 . . . . 0.0 107.514 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -90.35 172.91 8.42 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.446 HG22 ' CD ' ' A' ' 75' ' ' ARG . 46.1 p -132.19 -152.22 0.49 Allowed 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.7 mt -102.28 4.93 39.71 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 113.052 -1.886 . . . . 0.0 106.79 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.2 m -114.04 -14.18 12.42 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.441 -179.888 -50.064 -80.457 99.801 105.424 2.02 102.547 109.383 74.227 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 19.62 2.94 Favored 'General case' 0 N--CA 1.505 2.31 0 C-N-CA 118.609 -1.236 . . . . 0.0 109.561 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 16.3 mp0 -121.3 15.84 11.39 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -91.24 64.58 5.24 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 123.824 1.774 . . . . 0.0 107.607 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 108' ' ' THR . 45.4 p -18.77 114.71 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 109.115 -3.675 . . . . 0.0 115.799 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 55' ' ' PHE . 3.2 m -108.93 -179.04 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 CA-C-N 110.662 -2.972 . . . . 0.0 106.559 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.7 m -82.57 132.71 35.19 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 119.425 -0.91 . . . . 0.0 113.172 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -91.49 67.49 5.59 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.096 -1.865 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 33' ' ' PHE . 2.7 pp -50.04 -20.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.402 ' N ' HD12 ' A' ' 32' ' ' ILE . 52.8 m-85 -60.3 -36.95 79.07 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.27 24.85 1.77 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 123.912 0.757 . . . . 0.0 111.64 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 104' ' ' ALA . . . -149.03 10.35 0.79 Allowed 'General case' 0 N--CA 1.505 2.279 0 CA-C-N 114.382 -1.281 . . . . 0.0 107.844 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.2 t -90.17 -5.7 56.15 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -16.9 -61.58 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 127.183 2.193 . . . . 0.0 115.51 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -127.81 41.64 3.47 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 112.229 -2.26 . . . . 0.0 115.483 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -126.0 -166.38 1.56 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.5 p -118.25 156.88 28.05 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-N 113.709 -1.587 . . . . 0.0 112.073 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -41.22 -52.16 3.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 124.463 1.102 . . . . 0.0 110.809 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -51.72 -60.27 3.35 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.798 0.809 . . . . 0.0 111.401 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 48.8 mt-10 -51.11 -42.79 60.9 Favored 'General case' 0 N--CA 1.502 2.153 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.173 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.6 m -56.47 -55.14 37.46 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 102.647 -3.094 . . . . 0.0 102.647 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -59.8 -18.94 47.56 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 112.596 -2.093 . . . . 0.0 112.756 179.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.602 ' HB2' HD22 ' A' ' 96' ' ' LEU . 10.7 t -80.41 -52.61 7.46 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.953 -164.416 -131.262 85.413 104.686 2.019 104.968 82.309 -68.74 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 43' ' ' GLU . 59.7 mtt85 -60.13 -48.32 82.2 Favored 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 102.252 -3.24 . . . . 0.0 102.252 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 45' ' ' PHE . . . -42.97 -64.66 0.59 Allowed 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.834 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -42.87 -60.92 1.42 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 124.954 1.409 . . . . 0.0 108.587 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.1 m -46.55 -63.81 0.92 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 125.153 1.533 . . . . 0.0 110.291 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.5 t -40.94 -60.32 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 CA-C-N 114.07 -1.423 . . . . 0.0 112.111 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -58.53 -57.15 14.24 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-N 114.275 -1.329 . . . . 0.0 110.855 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -38.9 -61.6 0.72 Allowed 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 122.127 0.965 . . . . 0.0 109.917 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -52.51 -61.09 2.5 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 112.501 -2.136 . . . . 0.0 109.545 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CE2' HD22 ' A' ' 109' ' ' LEU . 86.9 t80 -40.34 -57.74 1.69 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 57' ' ' SER . 3.8 p90 -66.72 -51.85 51.23 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 117.262 -1.775 . . . . 0.0 110.894 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.409 ' N ' ' CD1' ' A' ' 56' ' ' TYR . 32.9 t -46.28 -48.65 18.02 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -68.99 -36.6 78.03 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.416 ' CD2' ' CE1' ' A' ' 55' ' ' PHE . 29.1 m-70 -79.2 -23.98 43.46 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 115.44 1.645 . . . . 0.0 115.44 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' HIS . 53.2 mt-10 -25.09 -47.96 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.622 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -122.31 56.05 1.12 Allowed 'General case' 0 N--CA 1.498 1.975 0 CA-C-N 113.141 -1.845 . . . . 0.0 111.805 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -36.01 14.45 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 113.341 -1.754 . . . . 0.0 109.296 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.713 ' H ' HD21 ' A' ' 66' ' ' LEU . 58.7 p 24.87 52.52 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 109.631 -3.44 . . . . 0.0 116.119 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -120.0 -40.99 2.68 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 102.102 -3.296 . . . . 0.0 102.102 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.8 -41.57 7.99 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 179.676 74.227 109.383 99.801 102.547 2.02 105.424 -80.457 -50.064 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.713 HD21 ' H ' ' A' ' 63' ' ' THR . 1.3 pt? -90.22 23.63 2.82 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.873 0.844 . . . . 0.0 111.308 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.84 58.85 0.68 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 104.703 -3.359 . . . . 0.0 104.703 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . . . -102.89 -50.71 3.45 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 110.842 -2.679 . . . . 0.0 108.65 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.57 HG23 ' H ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -158.42 -90.3 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 113.375 -1.738 . . . . 0.0 110.761 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.57 ' H ' HG23 ' A' ' 69' ' ' THR . . . -149.42 -51.25 0.15 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -52.65 -61.8 2.05 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 114.44 -1.255 . . . . 0.0 108.469 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 86.8 mm-40 -50.48 -49.75 54.55 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.949 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -43.67 -60.62 1.7 Allowed 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -57.46 -45.0 85.27 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.411 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' CD ' HG22 ' A' ' 22' ' ' THR . 8.6 ttm-85 -47.82 -55.04 10.6 Favored 'General case' 0 N--CA 1.503 2.205 0 CA-C-O 121.979 0.895 . . . . 0.0 110.623 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.447 ' ND1' HD13 ' A' ' 66' ' ' LEU . 11.9 t-80 -58.27 -49.81 75.8 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.82 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -42.82 -57.62 2.71 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.412 ' HA ' ' HE ' ' A' ' 81' ' ' ARG . 67.6 mt-30 -50.11 -57.5 7.55 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.298 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mp -45.0 -61.02 1.79 Allowed 'General case' 0 C--O 1.209 -1.06 0 O-C-N 123.939 0.774 . . . . 0.0 112.301 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.4 mm -44.74 -55.09 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 123.73 0.644 . . . . 0.0 111.391 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 78' ' ' GLN . 50.9 mtm105 -46.86 -55.2 8.38 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 124.104 0.877 . . . . 0.0 109.171 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.686 ' HB2' HD21 ' A' ' 17' ' ' LEU . 42.0 m-85 -59.58 -46.85 87.71 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.214 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.5 mt -50.57 -52.26 40.7 Favored 'General case' 0 N--CA 1.507 2.384 0 CA-C-N 119.328 0.967 . . . . 0.0 108.537 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -53.91 -53.25 55.35 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -46.13 -49.39 16.75 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -48.01 -68.65 0.17 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 124.558 1.161 . . . . 0.0 108.077 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -38.25 -61.22 0.7 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 124.926 1.391 . . . . 0.0 113.351 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -43.93 -56.17 4.1 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -75.07 -45.26 42.58 Favored 'General case' 0 N--CA 1.5 2.073 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.4 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.435 ' HG ' ' CE2' ' A' ' 45' ' ' PHE . 8.4 tt -43.33 -52.86 5.6 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.403 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 58.9 t90 -39.94 -49.67 2.47 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 124.921 1.388 . . . . 0.0 110.196 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -48.89 -60.72 5.81 Favored Glycine 0 N--CA 1.497 2.755 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.388 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' ' 93' ' ' LEU . 6.0 mp -52.91 -56.49 15.49 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 124.552 0.795 . . . . 0.0 109.831 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 96' ' ' LEU . . . -39.11 -66.17 0.31 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 125.618 1.824 . . . . 0.0 109.506 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.12 34.25 13.08 Favored Glycine 0 N--CA 1.496 2.634 0 C-N-CA 121.052 -0.595 . . . . 0.0 113.069 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 46' ' ' CYS . 1.5 mp -128.67 -127.34 0.22 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -148.78 -59.51 0.23 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.9 p -177.56 162.26 1.8 Allowed 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.568 -1.651 . . . . 0.0 106.958 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 94.2 m -149.27 164.63 20.26 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.939 -68.74 82.309 85.413 104.968 2.019 104.686 -131.262 -164.416 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -69.69 -179.82 3.14 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 123.013 2.476 . . . . 0.0 108.883 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.7 p -116.12 115.72 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -111.37 64.29 0.61 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -21.15 144.94 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 35' ' ' ALA . . . -112.87 -77.87 0.58 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.422 ' H ' ' HB3' ' A' ' 104' ' ' ALA . 66.7 m-80 -149.93 -172.08 4.07 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 102.193 -3.262 . . . . 0.0 102.193 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -112.96 148.69 34.51 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.551 -1.26 . . . . 0.0 112.783 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.9 t -124.76 130.96 53.42 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 111.84 -2.437 . . . . 0.0 108.488 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 28' ' ' THR . 13.3 p -82.98 91.56 7.18 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 103.425 -2.806 . . . . 0.0 103.425 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 55' ' ' PHE . 15.7 tp 3.49 -61.15 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 108' ' ' THR . 10.7 pt-20 -43.19 -45.36 5.59 Favored 'General case' 0 N--CA 1.508 2.431 0 CA-C-N 120.127 1.33 . . . . 0.0 110.023 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -63.31 -61.74 2.15 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 114.024 -1.443 . . . . 0.0 108.655 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -39.63 -53.9 2.09 Favored 'General case' 0 N--CA 1.507 2.394 0 CA-C-O 122.813 1.292 . . . . 0.0 109.525 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 17' ' ' LEU . 80.8 mt -54.94 -62.41 1.67 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 112.619 -2.082 . . . . 0.0 108.987 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -40.47 -47.67 2.67 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 123.583 0.552 . . . . 0.0 111.651 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -58.64 -60.78 3.28 Favored 'General case' 0 N--CA 1.505 2.309 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.369 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.9 tp -46.94 -52.35 14.78 Favored 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 114.739 -1.118 . . . . 0.0 110.29 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.415 ' N ' HD23 ' A' ' 14' ' ' LEU . 50.5 tttm -47.58 -63.28 1.1 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.541 -1.663 . . . . 0.0 109.112 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.3 m -47.32 -58.32 4.26 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.865 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -43.29 -63.48 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 CA-C-O 122.044 0.926 . . . . 0.0 111.277 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.455 ' SD ' HD22 ' A' ' 93' ' ' LEU . 36.3 mmt -48.67 -53.46 18.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 113.602 -1.635 . . . . 0.0 112.388 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -55.2 -48.21 74.17 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -56.87 -53.45 57.8 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 127' ' ' CYS . 36.0 mttp -69.57 2.19 3.4 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.562 ' O ' ' SG ' ' A' ' 127' ' ' CYS . 62.7 t80 -91.64 -42.99 9.88 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.2 m -91.0 -36.32 14.15 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 113.108 -1.86 . . . . 0.0 115.672 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -95.72 46.14 1.09 Allowed 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 124' ' ' TYR . 31.7 p -136.13 -36.59 0.74 Allowed 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 -179.706 64.927 149.315 -91.996 104.599 2.019 103.043 -96.699 49.328 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.56 ' HA ' ' H ' ' A' ' 127' ' ' CYS . 92.0 p -128.64 -170.45 2.26 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 125.099 3.59 . . . . 0.0 107.025 0.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 128' ' ' SER . 87.8 p . . . . . 0 N--CA 1.503 2.207 0 CA-C-N 123.113 2.688 . . . . 0.0 112.984 0.0 . . . . . . . . 1 1 . 1 stop_ save_