data_6msp_residue ############################ # Computer software used # ############################ 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 6msp _Structure_validation_residue.Date_analyzed 2019-06-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 pt? . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 110.202 -0.296 . . . . 74.23 110.202 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 66' ' ' LEU . 85.8 mt -69.02 -42.76 75.96 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.313 0.645 . . . . 73.14 111.274 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.65 -37.73 85.12 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 110.105 -0.332 . . . . 75.35 110.105 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mmm-85 -60.04 -30.2 69.03 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.669 0.787 . . . . 74.43 111.247 174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 83.6 mt -77.41 -35.05 54.54 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 109.615 -0.513 . . . . 71.24 109.615 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HB2' HD22 ' A' ' 66' ' ' LEU . 25.3 ttt180 -70.23 -24.05 63.02 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 122.487 0.315 . . . . 75.24 110.984 178.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -62.31 -42.35 99.3 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.337 -0.616 . . . . 73.53 109.337 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -72.3 -38.75 68.66 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 123.962 0.788 . . . . 74.42 110.799 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -64.66 -47.04 79.9 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 122.849 0.46 . . . . 72.33 111.025 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -68.97 -30.57 69.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.572 1.149 . . . . 74.12 111.588 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.72 -53.22 35.66 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.174 0.59 . . . . 72.2 109.884 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.38 -19.99 64.66 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.184 0.994 . . . . 74.31 111.614 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.0 -17.76 58.22 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.258 1.023 . . . . 73.4 111.285 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.06 -39.67 72.4 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 123.563 0.745 . . . . 71.13 110.945 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -30.73 12.41 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 109.377 -0.601 . . . . 73.3 109.377 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.66 38.02 93.17 Favored Glycine 0 C--N 1.358 1.784 0 O-C-N 123.95 0.781 . . . . 71.43 112.976 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 t -77.49 -169.92 1.61 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.337 0.655 . . . . 70.35 110.888 -174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.24 88.6 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.857 0.863 . . . . 75.15 110.688 171.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 71.9 mt -94.43 108.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 107.443 -1.317 . . . . 74.32 107.443 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 60.4 t -104.53 107.35 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 109.13 -0.692 . . . . 75.32 109.13 -176.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 HD13 ' A' ' 65' ' ' LEU . 48.9 t -92.48 110.19 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 108.709 -0.849 . . . . 72.41 108.709 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 84' ' ' ASN . 9.8 tp10 -116.57 126.43 53.28 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.643 1.177 . . . . 74.33 108.87 -172.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 78.1 t -124.19 101.53 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.605 0.762 . . . . 75.53 109.007 -174.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 84.4 m-70 -96.41 110.98 23.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.027 0.931 . . . . 75.03 109.151 175.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mt -125.87 114.64 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 122.6 0.36 . . . . 75.21 110.061 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 71.68 -72.05 0.12 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 126.029 1.732 . . . . 73.24 111.5 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.16 11.06 0.26 Allowed Glycine 0 N--CA 1.471 1.015 0 CA-C-N 115.281 -0.872 . . . . 75.04 112.46 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -110.57 139.04 46.19 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 107.744 -1.206 . . . . 65.21 107.744 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 12.1 ptt180 -127.1 151.28 48.84 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.724 -0.472 . . . . 70.41 109.724 174.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.83 114.05 11.48 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.675 -0.861 . . . . 63.33 108.675 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -109.77 119.82 40.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.226 1.01 . . . . 74.45 109.254 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.4 mt -119.09 107.56 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 108.587 -0.894 . . . . 73.24 108.587 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.69 106.16 18.15 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 108.451 -0.944 . . . . 75.33 108.451 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.9 m -113.51 117.8 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.29 0.636 . . . . 74.12 109.489 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -121.73 110.7 16.26 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.412 -0.959 . . . . 70.34 108.412 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.4 73.76 0.44 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.726 1.21 . . . . 73.34 110.421 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -115.84 172.25 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.17 -0.923 . . . . 71.22 111.212 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.517 ' HB2' ' HG2' ' A' ' 61' ' ' GLU . 23.0 m -96.72 170.25 9.32 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.755 0.822 . . . . 74.1 110.659 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -27.75 66.76 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.684 0.794 . . . . 74.25 111.4 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -79.03 -19.85 50.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.337 1.055 . . . . 64.53 110.994 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.517 ' HG2' ' HB2' ' A' ' 58' ' ' SER . 27.0 mm-40 -81.37 -47.55 13.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.649 0.38 . . . . 73.43 109.98 176.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.77 -19.75 61.3 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.268 0.84 . . . . 72.5 113.268 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -63.78 -29.14 70.38 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.95 0.405 . . . . 75.41 110.016 172.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 14.8 mmmm -66.84 -26.5 66.95 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 123.23 0.612 . . . . 73.32 111.182 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 41' ' ' VAL . 84.0 mt -61.75 -54.82 37.25 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.9 0.48 . . . . 74.21 110.556 -176.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 26' ' ' ARG . 1.9 pp -69.75 -30.55 68.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.57 0.748 . . . . 73.21 111.149 177.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.78 -14.13 61.9 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.099 0.96 . . . . 72.51 110.974 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 40.1 mtp180 -87.79 -35.16 18.01 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 121.871 -0.518 . . . . 74.43 110.773 165.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 65' ' ' LEU . 81.8 mt -63.51 -36.63 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.314 0.646 . . . . 71.32 110.861 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 34.3 ptt180 -54.81 -41.39 70.57 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 123.659 0.599 . . . . 74.4 109.801 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 45.6 mt-10 -66.7 -30.81 71.14 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.078 0.951 . . . . 71.15 109.812 -175.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -75.12 -43.4 52.89 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 115.552 -0.749 . . . . 74.2 109.168 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 pp -77.75 -19.07 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 CA-C-N 116.281 -0.418 . . . . 75.52 111.463 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 63.3 mm-40 -72.65 -51.95 17.36 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.743 0.417 . . . . 71.42 110.136 173.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.457 ' HG3' ' HG2' ' A' ' 76' ' ' GLU . 14.5 ptm180 -69.56 -35.91 75.84 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.281 -0.418 . . . . 74.33 111.97 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG2' ' HG3' ' A' ' 75' ' ' ARG . 48.1 mm-40 -94.77 -59.24 1.96 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.75 0.42 . . . . 74.35 110.593 -177.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.04 25.37 67.97 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-N 116.095 -0.502 . . . . 74.14 113.701 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.4 m -98.76 152.29 19.85 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.545 0.738 . . . . 54.43 111.176 -172.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.5 t -67.94 -26.59 66.03 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.098 0.959 . . . . 75.45 110.947 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.44 77.08 2.49 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.01 -0.737 . . . . 75.3 109.01 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 p -135.41 134.24 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.598 0.759 . . . . 72.53 109.663 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 28.0 tt0 -138.47 112.37 8.44 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.537 1.135 . . . . 75.3 108.02 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.3 t -99.59 130.36 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 107.114 -1.439 . . . . 75.22 107.114 170.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 42' ' ' GLU . 49.4 t-20 -138.45 105.5 5.44 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.309 -0.997 . . . . 72.31 108.309 -161.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.64 123.42 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 N-CA-C 108.91 -0.774 . . . . 71.42 108.91 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.513 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 65.7 m-70 -109.98 146.99 34.32 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.964 -1.125 . . . . 71.14 107.964 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.3 p -157.61 103.6 1.93 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 109.126 -0.694 . . . . 73.35 109.126 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 59.28 33.39 75.33 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.266 -0.424 . . . . 72.31 113.151 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.35 -17.98 56.06 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-O 119.944 -0.365 . . . . 73.51 113.21 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 19.7 mt-30 -80.91 122.53 27.35 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.004 0.521 . . . . 73.42 110.405 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.2 m -116.69 139.26 50.75 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.673 0.789 . . . . 70.33 110.998 -171.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -135.6 124.14 23.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.788 1.235 . . . . 73.02 108.667 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 p -109.54 111.76 23.46 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.041 0.537 . . . . 73.31 111.077 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -96.03 109.13 21.59 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.941 1.296 . . . . 73.25 109.081 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.477 0.922 0 C-N-CA 124.002 0.921 . . . . 71.42 109.268 179.114 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 121.255 0.55 . . . . 72.05 110.524 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 66' ' ' LEU . 57.3 mt -63.47 -45.19 91.93 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.687 -1.142 . . . . 62.25 112.687 -164.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -72.37 -17.55 61.81 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.857 -0.61 . . . . 73.43 111.18 -172.29 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -61.98 -40.61 96.22 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.602 0.715 . . . . 61.41 109.53 168.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.59 -30.03 65.36 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.588 -1.187 . . . . 74.44 109.476 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -59.32 -45.7 90.59 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.23 0.331 . . . . 70.03 110.2 172.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 59.0 mm-40 -60.19 -30.84 69.62 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.759 0.662 . . . . 75.33 110.799 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.2 tp -72.49 -43.53 63.5 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.874 -0.603 . . . . 74.13 110.494 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.483 ' HB2' HD11 ' A' ' 62' ' ' LEU . 16.6 m-30 -68.47 -22.46 64.56 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.918 0.487 . . . . 71.53 110.573 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -80.3 -36.79 33.84 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.274 1.029 . . . . 73.13 109.33 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -61.93 -32.91 73.36 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.294 0.637 . . . . 73.45 109.991 171.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 35' ' ' ARG . 77.9 mt -87.68 -22.9 24.39 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.022 0.929 . . . . 71.5 111.852 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -53.63 -38.06 63.7 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.387 1.075 . . . . 71.44 112.551 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.87 -36.35 76.72 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.449 -0.796 . . . . 75.25 112.766 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.03 -26.47 16.77 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.665 -0.495 . . . . 75.24 109.665 178.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.62 24.35 64.03 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.981 0.801 . . . . 71.35 114.052 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.0 t -76.63 -177.74 4.39 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.983 0.513 . . . . 75.22 110.999 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.78 100.74 0.06 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.189 0.996 . . . . 72.31 112.219 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.448 HD13 HD13 ' A' ' 57' ' ' ILE . 59.0 mt -95.91 113.47 30.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 N-CA-C 107.874 -1.158 . . . . 64.31 107.874 172.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.502 HG21 ' HG2' ' A' ' 53' ' ' ARG . 21.4 t -107.32 105.48 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.823 -0.806 . . . . 75.41 108.823 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 65' ' ' LEU . 72.4 t -92.58 110.93 23.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.172 -1.047 . . . . 74.31 108.172 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 41.2 tt0 -118.38 108.84 15.55 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.82 0.448 . . . . 73.44 110.455 -174.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.475 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 38.8 t -96.7 102.08 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.011 0.925 . . . . 75.01 109.626 -174.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.477 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 28.3 m-70 -90.45 106.19 18.33 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 109.003 -0.74 . . . . 64.43 109.003 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 43.8 mt -127.9 119.06 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 122.91 0.484 . . . . 75.33 110.387 175.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 58.96 31.17 21.1 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.799 1.24 . . . . 64.42 112.004 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.33 -20.97 44.85 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.462 -0.79 . . . . 72.21 113.416 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.35 118.39 24.86 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.147 0.579 . . . . 73.24 110.707 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -94.59 113.04 24.8 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.582 0.706 . . . . 73.43 109.684 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 8.9 t70 -85.36 136.4 33.48 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 107.362 -1.347 . . . . 72.42 107.362 172.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -129.43 114.12 15.76 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.166 0.439 . . . . 73.43 110.215 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.6 mt -122.36 131.63 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 107.927 -1.138 . . . . 74.53 107.927 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.502 ' HG2' HG21 ' A' ' 40' ' ' VAL . 54.9 mtt180 -125.95 130.19 50.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.651 0.78 . . . . 73.3 109.371 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.46 HG13 HD11 ' A' ' 65' ' ' LEU . 9.7 p -140.84 141.52 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 122.815 0.446 . . . . 75.22 111.046 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.11 139.04 53.7 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.299 1.039 . . . . 74.21 108.817 175.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.15 83.65 0.09 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.939 1.296 . . . . 75.35 111.777 172.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.523 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.1 pp -146.11 151.69 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 115.402 -0.817 . . . . 73.34 110.681 -175.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 m -97.52 178.6 5.13 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.299 1.039 . . . . 62.22 109.868 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -53.1 -49.12 67.12 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.585 1.154 . . . . 74.42 113.889 -169.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -29.82 63.04 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 118.192 0.451 . . . . 72.14 111.509 -175.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.29 -49.83 52.36 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.427 -0.806 . . . . 74.14 110.796 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.523 ' HB3' HD11 ' A' ' 57' ' ' ILE . 4.3 pp -71.52 -21.11 61.96 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.396 0.278 . . . . 72.3 110.861 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 21.9 mtpp -64.66 -27.99 69.31 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 119.527 -0.273 . . . . 72.24 111.065 171.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.47 -27.36 68.51 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 117.816 0.28 . . . . 72.01 111.004 175.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' A' ' 41' ' ' VAL . 57.3 mt -64.67 -47.65 77.65 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.291 0.636 . . . . 70.11 110.439 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 3.8 pp -81.34 -22.62 38.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.333 -0.848 . . . . 74.34 111.705 -177.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HG2' ' NH2' ' A' ' 70' ' ' ARG . 53.4 mt-10 -77.19 -22.28 52.66 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.124 0.57 . . . . 71.15 110.281 173.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 51.2 mtt180 -70.67 -43.89 68.18 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 122.93 0.492 . . . . 74.41 109.804 167.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.73 -40.14 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.452 0.701 . . . . 75.43 110.032 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.473 ' NH2' ' HG2' ' A' ' 67' ' ' GLU . 37.8 ttm180 -51.34 -49.85 60.61 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.322 1.049 . . . . 72.21 111.577 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.33 -38.96 85.39 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 115.173 -0.921 . . . . 75.43 110.53 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 30.0 mmtp -69.62 -49.56 52.7 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 109.988 -0.375 . . . . 73.14 109.988 -173.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.0 pt -75.47 -35.53 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 123.563 0.745 . . . . 73.52 112.29 -170.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -83.36 -44.62 14.65 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.752 0.421 . . . . 61.11 111.076 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -77.06 -18.79 57.82 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.601 0.36 . . . . 74.21 111.419 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.14 -44.64 21.57 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.441 -0.578 . . . . 75.23 109.441 165.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.54 -46.66 3.36 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.647 -0.706 . . . . 74.01 111.895 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.3 t -56.19 126.2 25.1 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.281 1.033 . . . . 75.13 110.54 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.2 p -84.35 11.75 7.9 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.56 0.744 . . . . 64.14 111.284 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 6.9 tp10 -73.56 78.29 1.47 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.839 -0.8 . . . . 63.11 108.839 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.9 118.99 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 121.809 0.814 . . . . 75.52 111.023 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.477 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 34.0 tt0 -115.87 111.53 20.59 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.687 1.595 . . . . 75.45 106.979 174.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.2 t -98.95 114.28 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 109.206 -0.664 . . . . 63.14 109.206 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.52 108.63 21.11 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.33 -0.989 . . . . 74.32 108.33 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -94.61 107.71 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 108.012 -1.107 . . . . 75.51 108.012 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.46 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 15.8 m-70 -102.03 116.19 32.16 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.751 -1.203 . . . . 75.22 107.751 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 t -143.36 112.06 6.46 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.184 -0.673 . . . . 72.24 109.184 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.01 23.83 74.46 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 124.013 0.821 . . . . 62.24 112.674 -172.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.76 -10.99 73.34 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 123.201 0.429 . . . . 73.23 113.6 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -85.32 121.98 28.84 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.147 0.579 . . . . 71.1 109.993 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 83.7 m -109.2 126.75 53.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.113 0.965 . . . . 73.43 110.05 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -117.74 116.43 27.01 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.628 -0.879 . . . . 74.43 108.628 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.6 p -99.59 106.02 17.94 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.914 0.885 . . . . 72.44 111.794 -172.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -91.99 115.57 28.18 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.141 0.976 . . . . 73.04 109.489 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 . . . . . 0 N--CA 1.482 1.126 0 C-N-CA 123.491 0.716 . . . . 75.24 110.341 -175.585 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 121.725 0.774 . . . . 75.42 110.327 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 HD11 ' HB3' ' A' ' 70' ' ' ARG . 75.2 mt -70.9 -28.98 64.93 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.624 -1.171 . . . . 74.24 111.384 -176.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -62.54 -30.56 71.39 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.079 0.466 . . . . 74.11 110.668 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -63.69 -41.85 98.09 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.331 -0.85 . . . . 74.41 109.359 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.0 mt -73.73 -33.13 64.21 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.715 -1.13 . . . . 71.12 109.097 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.552 ' HB2' HD13 ' A' ' 66' ' ' LEU . 33.9 ttt180 -64.39 -48.71 74.4 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.052 0.941 . . . . 74.12 111.8 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.21 -32.5 71.17 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 123.441 0.463 . . . . 74.42 111.569 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.9 tp -67.34 -48.81 66.41 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.832 -0.622 . . . . 74.35 109.593 170.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 33' ' ' HIS . 21.2 m-30 -57.8 -30.99 66.15 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.079 0.552 . . . . 74.32 111.561 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 33' ' ' HIS . 78.6 mm-40 -73.26 -43.31 61.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.102 0.561 . . . . 75.23 109.907 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.53 -30.61 68.72 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.089 0.956 . . . . 74.42 111.152 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 51.1 mt -84.97 -45.76 11.87 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.359 -0.837 . . . . 73.45 110.508 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.435 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -66.27 -27.48 67.97 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.209 0.603 . . . . 73.04 111.329 -173.553 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.3 -26.43 62.85 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.772 -0.649 . . . . 74.22 111.247 -176.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -100.82 -15.13 17.72 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.755 0.422 . . . . 75.41 110.571 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.26 29.54 40.49 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.608 0.567 . . . . 73.43 113.597 172.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -84.85 156.24 21.39 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 109.358 -0.608 . . . . 72.34 109.358 171.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.82 143.93 45.74 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.788 0.435 . . . . 74.33 110.665 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.52 HD12 HD12 ' A' ' 57' ' ' ILE . 47.5 mt -117.0 109.01 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 109.086 -0.709 . . . . 74.41 109.086 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.597 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 62.5 t -97.69 106.07 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 108.361 -0.978 . . . . 75.42 108.361 173.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -94.06 137.85 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.3 -1.0 . . . . 74.13 108.3 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.491 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 78.6 tt0 -139.08 108.13 6.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 117.84 0.291 . . . . 73.01 111.035 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 58.8 t -90.73 103.82 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 124.374 1.07 . . . . 64.44 110.188 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -89.11 111.86 22.72 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.783 0.833 . . . . 71.12 109.843 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.51 HG21 ' HG3' ' A' ' 76' ' ' GLU . 45.0 mt -120.02 107.82 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 109.172 -0.677 . . . . 73.22 109.172 173.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 63.86 -71.93 0.06 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.506 1.523 . . . . 75.42 111.299 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.82 -7.43 0.36 Allowed Glycine 0 N--CA 1.471 0.985 0 CA-C-N 115.901 -0.59 . . . . 64.35 113.1 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.8 143.16 31.97 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.439 0.696 . . . . 75.11 109.918 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -127.5 117.02 21.31 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.366 0.667 . . . . 73.31 109.243 173.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.521 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 19.3 t70 -97.78 110.65 23.18 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.105 -1.072 . . . . 75.24 108.105 175.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -117.13 115.26 25.0 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.747 -0.464 . . . . 72.43 109.747 -174.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.7 mt -121.89 122.92 68.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 124.448 1.099 . . . . 71.1 108.581 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.512 ' HG2' HG12 ' A' ' 40' ' ' VAL . 58.4 mtt180 -113.0 118.36 34.59 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.367 0.667 . . . . 72.45 109.5 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 m -114.03 150.24 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.851 0.86 . . . . 72.22 110.23 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -134.9 116.7 15.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.795 0.838 . . . . 74.3 109.884 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.79 82.85 0.13 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.561 1.144 . . . . 75.22 111.157 -178.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.52 HD12 HD12 ' A' ' 39' ' ' ILE . 1.9 pp -123.16 162.98 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.922 0.889 . . . . 74.21 110.913 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m -102.35 -176.08 3.01 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.763 0.825 . . . . 72.54 111.226 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -60.88 -39.26 88.56 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 113.726 1.01 . . . . 74.35 113.726 -171.171 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -28.81 24.9 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.233 0.469 . . . . 74.35 110.004 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -61.24 -43.11 99.41 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.553 0.741 . . . . 74.24 111.674 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.509 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.4 pp -74.41 -23.74 59.0 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.555 -0.293 . . . . 72.51 110.284 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 79.0 mttt -68.31 -20.37 64.74 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 122.229 -0.294 . . . . 75.34 110.817 170.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 13.6 mmmm -70.76 -29.9 66.25 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.851 -0.796 . . . . 71.35 108.851 173.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 93.5 mt -65.95 -44.67 84.34 Favored 'General case' 0 C--N 1.368 1.375 0 N-CA-C 109.067 -0.716 . . . . 75.41 109.067 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 26' ' ' ARG . 84.9 mt -58.13 -39.06 77.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.893 -1.049 . . . . 74.23 111.082 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 49.2 mt-10 -71.16 -33.76 70.32 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.761 -0.654 . . . . 74.41 111.059 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 5.6 mmp_? -67.03 -37.69 84.57 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.621 0.191 . . . . 74.05 110.888 175.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.18 -45.5 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.687 0.795 . . . . 75.13 109.854 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.469 ' HB3' HD11 ' A' ' 22' ' ' LEU . 20.7 ptt180 -62.89 -35.43 80.0 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 116.191 -0.458 . . . . 74.43 110.036 -174.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 49.2 mm-40 -55.1 -44.58 75.05 Favored 'General case' 0 C--N 1.367 1.345 0 O-C-N 123.637 0.585 . . . . 74.54 109.607 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -69.51 -53.66 17.99 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 124.294 0.996 . . . . 73.34 110.223 -172.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.586 HG22 HG21 ' A' ' 81' ' ' VAL . 23.0 pt -67.12 -25.73 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 CA-C-N 115.654 -0.703 . . . . 75.42 111.871 -173.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -88.05 -43.22 11.87 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.642 0.608 . . . . 75.01 112.642 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 15.0 ptm180 -62.79 -39.36 93.98 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.311 0.244 . . . . 74.41 110.352 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.51 ' HG3' HG21 ' A' ' 45' ' ' ILE . 13.4 mm-40 -82.35 -57.13 3.5 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 109.615 -0.513 . . . . 75.21 109.615 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.66 10.41 84.79 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-N 115.669 -0.696 . . . . 61.35 113.274 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 p -86.45 142.62 28.27 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 123.802 0.841 . . . . 71.13 111.389 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.0 m -85.1 60.91 6.54 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.958 0.885 . . . . 74.11 109.744 170.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -148.58 29.56 0.84 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.247 -1.342 . . . . 74.33 107.87 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.586 HG21 HG22 ' A' ' 73' ' ' ILE . 2.6 p -105.21 112.74 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.965 0.888 . . . . 72.33 110.266 175.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -107.3 121.62 44.92 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.398 1.479 . . . . 73.35 107.936 170.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 59.2 t -96.29 145.05 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 106.946 -1.502 . . . . 73.4 106.946 176.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.23 109.94 11.55 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.506 -1.294 . . . . 63.12 107.506 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.5 t -91.99 130.13 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.655 -0.869 . . . . 75.12 108.655 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.597 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 11.0 m-70 -123.76 127.57 48.31 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 106.422 -1.696 . . . . 73.34 106.422 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -158.42 124.93 4.73 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.425 0.557 . . . . 73.43 110.981 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.45 28.57 71.38 Favored Glycine 0 C--N 1.354 1.549 0 O-C-N 124.036 0.835 . . . . 65.42 114.421 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.25 -20.62 49.77 Favored Glycine 0 C--N 1.346 1.091 0 CA-C-O 119.852 -0.415 . . . . 71.15 113.267 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.45 153.75 25.5 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.069 0.547 . . . . 75.33 111.138 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.7 m -141.97 132.83 25.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.423 1.089 . . . . 74.23 108.942 172.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -118.45 147.19 43.85 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.567 0.747 . . . . 73.53 109.043 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.0 m -101.32 133.88 45.24 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.64 0.776 . . . . 75.24 109.57 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 69.9 m-85 -125.84 120.53 30.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.264 1.026 . . . . 74.23 109.135 -175.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 N--CA 1.478 0.957 0 C-N-CA 123.241 0.617 . . . . 62.25 110.156 178.51 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 110.191 -0.3 . . . . 73.35 110.191 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.608 HD13 ' HB3' ' A' ' 70' ' ' ARG . 52.0 mt -85.5 -37.13 20.04 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.794 1.405 . . . . 73.44 114.794 -166.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 40.0 tt0 -63.22 -37.23 86.41 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 118.677 0.672 . . . . 73.34 111.195 -174.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -66.73 -29.22 69.15 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 116.069 -0.514 . . . . 73.3 110.799 174.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.79 -40.94 72.28 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 109.115 -0.698 . . . . 75.41 109.115 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -52.93 -50.12 64.63 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 124.192 0.933 . . . . 75.44 109.924 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 81.4 mm-40 -62.96 -37.22 86.24 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.52 1.137 . . . . 72.51 110.967 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.36 -42.01 93.23 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.266 0.626 . . . . 75.24 110.303 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 37.2 m-85 -72.99 -37.93 66.83 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.165 0.586 . . . . 73.3 110.917 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.1 -35.08 77.61 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.558 0.743 . . . . 74.22 110.129 174.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -70.42 -55.8 8.17 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.231 -0.895 . . . . 74.15 110.102 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 83.7 mt -64.63 -17.8 64.36 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.424 1.09 . . . . 74.31 112.077 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -58.43 -20.72 47.07 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 124.174 0.99 . . . . 71.31 112.003 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -56.46 -38.73 72.07 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.748 1.219 . . . . 73.03 111.705 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HG3' HG21 ' A' ' 37' ' ' THR . 5.9 ptm180 -112.64 -20.2 11.78 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.265 1.026 . . . . 75.44 110.491 -169.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.16 37.72 87.35 Favored Glycine 0 C--N 1.352 1.434 0 O-C-N 124.138 0.899 . . . . 72.31 113.298 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.444 HG21 ' HG3' ' A' ' 35' ' ' ARG . 12.8 p -69.18 153.86 43.0 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.914 0.486 . . . . 73.11 111.001 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.16 102.17 1.62 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.047 0.927 . . . . 75.34 109.46 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.1 mt -92.48 112.92 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 114.387 -1.279 . . . . 73.53 108.867 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 41.8 t -101.56 102.84 14.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.265 -1.383 . . . . 73.54 107.265 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.2 t -93.49 110.98 24.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 108.033 -1.099 . . . . 74.32 108.033 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 14.7 tp10 -111.63 105.75 14.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.271 1.028 . . . . 75.04 108.67 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 38.1 t -89.82 134.27 29.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 N-CA-C 107.681 -1.229 . . . . 71.42 107.681 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 65.2 m170 -130.6 108.88 10.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.424 1.089 . . . . 63.33 108.785 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 81' ' ' VAL . 35.1 mt -139.22 97.3 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.654 0.781 . . . . 71.25 109.843 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.446 ' ND2' ' HB3' ' A' ' 80' ' ' GLU . 23.3 m-80 56.67 26.84 11.72 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.711 1.205 . . . . 72.35 113.754 169.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.0 -26.87 8.09 Favored Glycine 0 N--CA 1.469 0.875 0 N-CA-C 111.9 -0.48 . . . . 62.25 111.9 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -78.39 107.18 10.83 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.047 0.539 . . . . 72.2 109.731 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.544 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 35.7 ptt180 -111.39 151.01 28.98 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.691 -0.686 . . . . 64.22 109.332 176.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -146.71 114.55 6.48 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.187 -0.672 . . . . 74.51 109.187 -175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.2 107.21 17.93 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.003 0.921 . . . . 72.24 109.722 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.0 mt -111.91 107.34 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.439 -0.949 . . . . 72.23 108.439 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -100.69 103.65 14.92 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 108.311 -0.996 . . . . 74.02 108.311 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.5 m -113.36 152.19 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 124.857 1.263 . . . . 74.12 108.904 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -122.19 -58.03 1.74 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.501 0.667 . . . . 71.25 109.352 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -116.58 91.77 3.68 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.034 -0.984 . . . . 70.25 108.637 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 pp -120.89 111.78 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.957 0.903 . . . . 73.13 110.323 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -77.92 174.77 10.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.748 0.819 . . . . 74.04 110.031 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -34.1 9.57 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 115.289 1.589 . . . . 73.44 115.289 -169.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -88.15 -30.08 20.07 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.994 0.518 . . . . 73.15 111.899 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -84.7 -28.53 26.29 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.997 0.74 . . . . 71.15 112.997 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.601 ' HA ' HD22 ' A' ' 65' ' ' LEU . 4.5 pp -72.58 -26.09 61.58 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.759 -0.46 . . . . 75.23 109.759 176.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.7 mmmm -52.24 -36.83 53.47 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 114.782 -1.099 . . . . 74.22 111.127 168.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 25.9 mmtp -62.36 -30.95 71.55 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.798 0.439 . . . . 71.34 111.144 -175.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 62' ' ' LEU . 4.4 mm? -61.54 -46.5 89.66 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.675 0.79 . . . . 74.33 110.857 -177.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.1 pp -81.89 -29.13 32.56 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.439 -0.801 . . . . 75.21 110.835 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 44.0 mt-10 -73.25 -19.01 61.16 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.884 0.473 . . . . 70.44 111.137 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 4.1 mmp_? -70.7 -37.65 73.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.865 0.466 . . . . 72.42 110.741 166.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -72.67 -38.7 59.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 122.952 0.501 . . . . 74.11 111.181 -176.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.608 ' HB3' HD13 ' A' ' 22' ' ' LEU . 7.8 ptp85 -59.1 -42.85 91.49 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.176 0.298 . . . . 75.21 110.794 -176.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 5.8 pt-20 -64.89 -33.12 75.27 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 109.449 -0.574 . . . . 75.32 109.449 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 72.2 mmtt -65.15 -53.0 51.78 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.926 -0.768 . . . . 72.4 108.926 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 pp -66.87 -25.8 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 115.488 -0.778 . . . . 74.43 111.06 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.43 -55.03 4.21 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 123.517 0.727 . . . . 61.22 112.506 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 37.2 ptt85 -83.16 -34.31 26.02 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 112.594 0.59 . . . . 75.54 112.594 -170.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -70.24 -46.01 65.32 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.72 -1.215 . . . . 74.21 107.72 165.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.5 -29.49 2.28 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-N 115.31 -0.859 . . . . 74.14 114.613 171.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.7 m -61.06 121.02 11.41 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.552 1.141 . . . . 72.43 111.172 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 p -74.96 78.48 2.17 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.564 1.145 . . . . 64.23 111.337 -176.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.446 ' HB3' ' ND2' ' A' ' 46' ' ' ASN . 1.9 tm-20 -162.2 94.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 104.986 -2.227 . . . . 75.53 104.986 174.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.472 ' HA ' HG12 ' A' ' 45' ' ' ILE . 47.3 t -125.21 132.7 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.839 0.856 . . . . 73.33 108.97 -172.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 34.4 tt0 -141.79 108.32 5.32 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.467 0.707 . . . . 72.31 109.658 174.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -100.85 129.2 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 108.638 -0.875 . . . . 71.12 108.638 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.552 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 8.4 m120 -119.19 107.72 13.78 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.508 -0.923 . . . . 72.01 108.508 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 91' ' ' THR . 89.0 t -99.6 104.16 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 108.927 -0.768 . . . . 73.12 108.927 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.442 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 44.1 m-70 -98.84 112.54 24.6 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.018 0.927 . . . . 75.51 109.01 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.9 p -159.7 129.84 5.57 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 122.917 0.487 . . . . 75.1 110.229 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.31 30.64 77.06 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.931 0.769 . . . . 73.11 114.021 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.27 -2.36 87.87 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-O 119.879 -0.4 . . . . 60.43 113.465 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -106.2 157.66 17.41 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.693 0.797 . . . . 73.03 110.045 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 89.8 m -141.04 116.71 10.28 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 123.754 0.821 . . . . 75.2 109.622 173.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -95.66 116.65 29.16 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.173 -0.677 . . . . 74.12 109.173 174.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.6 p -99.33 104.58 16.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.426 0.69 . . . . 70.34 110.218 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -102.48 108.34 19.62 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.035 0.934 . . . . 74.55 110.181 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.3 m120 . . . . . 0 N--CA 1.472 0.634 0 C-N-CA 123.544 0.738 . . . . 65.32 109.038 173.097 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 112.309 0.485 . . . . 72.11 112.309 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.537 ' HB3' HD12 ' A' ' 66' ' ' LEU . 61.4 mt -56.21 -57.32 12.69 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 109.914 -0.402 . . . . 72.3 109.914 172.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.3 tt0 -65.34 -33.03 75.02 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.535 -1.211 . . . . 73.21 110.818 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -63.8 -37.52 87.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.637 0.775 . . . . 73.1 110.09 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.86 -30.02 40.2 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 115.847 -0.615 . . . . 74.14 110.161 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -61.8 -46.85 87.75 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.376 0.423 . . . . 72.32 109.864 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 58.5 mm-40 -62.51 -36.17 81.7 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.029 0.83 . . . . 75.31 110.483 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.08 -47.62 76.63 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.09 -0.959 . . . . 72.31 110.739 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.466 ' HB2' HD11 ' A' ' 62' ' ' LEU . 17.8 m-30 -67.04 -37.99 85.09 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.949 0.5 . . . . 74.3 110.735 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.88 -38.74 92.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.114 0.965 . . . . 75.42 110.842 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.58 -50.6 64.53 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.456 0.473 . . . . 74.44 109.736 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 HG12 ' A' ' 39' ' ' ILE . 64.4 mt -61.55 -30.19 70.49 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.028 0.931 . . . . 74.14 111.144 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -60.91 -17.54 51.43 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.174 1.39 . . . . 75.11 112.21 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.17 -30.86 66.74 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.378 0.671 . . . . 74.01 111.457 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -26.57 6.95 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.984 0.514 . . . . 74.55 110.856 171.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.28 50.28 3.69 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 109.505 -1.438 . . . . 73.0 109.505 -172.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.5 m -55.76 157.82 3.98 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.405 1.482 . . . . 75.23 112.981 -175.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 5.0 pt-20 -58.59 86.54 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.724 0.81 . . . . 74.33 110.786 167.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.558 ' HA ' ' HG ' ' A' ' 87' ' ' SER . 39.6 mt -94.18 110.37 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 109.072 -0.714 . . . . 64.04 109.072 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 62.1 t -114.06 104.89 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 108.951 -0.759 . . . . 74.22 108.951 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.568 HG23 ' HB3' ' A' ' 65' ' ' LEU . 57.3 t -93.15 109.79 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 N-CA-C 108.32 -0.993 . . . . 72.11 108.32 178.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -120.87 107.04 12.22 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.792 0.837 . . . . 71.2 108.839 -172.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 21.6 t -99.83 102.41 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.566 0.746 . . . . 75.14 109.733 -170.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.598 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 47.6 m-70 -91.65 97.2 10.88 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.617 0.767 . . . . 72.43 109.613 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.425 HG21 ' HG2' ' A' ' 76' ' ' GLU . 6.8 mt -117.7 113.26 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.308 0.643 . . . . 73.02 110.151 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 50.16 28.49 3.1 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.409 1.484 . . . . 72.11 113.517 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.77 -34.13 4.18 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 122.365 -0.209 . . . . 73.13 112.977 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -79.79 145.93 32.56 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.765 0.426 . . . . 71.22 110.369 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -121.59 121.18 36.83 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.857 0.863 . . . . 74.45 109.04 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 22.9 t70 -104.17 111.98 24.81 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.985 -1.117 . . . . 71.14 107.985 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -104.97 116.86 32.67 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.727 0.411 . . . . 74.32 110.551 -172.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.3 mt -117.43 113.29 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 107.813 -1.18 . . . . 64.15 107.813 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HG2' HG12 ' A' ' 40' ' ' VAL . 47.5 mtm180 -112.33 112.1 23.44 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 109.48 -0.563 . . . . 74.5 109.48 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.407 ' HA ' HH21 ' A' ' 55' ' ' ARG . 30.8 m -131.13 152.24 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.806 1.242 . . . . 71.52 109.087 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.528 ' HG3' ' HA ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -121.9 -85.33 0.66 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.132 -0.692 . . . . 75.5 109.132 171.628 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.68 90.86 8.41 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 108.712 -0.847 . . . . 73.11 108.712 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.6 pp -117.15 174.03 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 114.421 -1.263 . . . . 74.23 109.994 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.2 m -97.36 175.61 6.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.218 0.607 . . . . 75.55 111.359 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HD3' ' H ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -73.28 -35.01 66.09 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.012 0.525 . . . . 74.41 112.011 -174.15 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -81.39 -25.14 36.51 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.927 0.394 . . . . 75.32 109.996 174.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -73.69 -37.45 65.19 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.059 -0.518 . . . . 55.11 111.501 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' A' ' 57' ' ' ILE . 4.5 pp -72.3 -24.05 61.27 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 122.378 -0.201 . . . . 73.14 110.853 176.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -57.47 -34.88 69.48 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.544 168.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 25.3 mmmt -63.21 -33.94 76.57 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 119.159 -0.448 . . . . 75.2 110.841 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.568 ' HB3' HG23 ' A' ' 41' ' ' VAL . 85.2 mt -56.59 -47.4 79.65 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 123.815 0.697 . . . . 74.34 111.101 -175.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 22' ' ' LEU . 3.7 pp -83.15 -27.09 30.34 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.711 -1.131 . . . . 63.21 111.255 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 53.3 mt-10 -70.24 -26.4 63.82 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.212 0.205 . . . . 64.45 111.374 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 1.3 mmp_? -65.51 -42.49 92.03 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 108.814 -0.81 . . . . 75.3 108.814 172.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.29 -47.82 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.003 0.921 . . . . 64.12 111.263 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 19.6 ptt180 -59.05 -37.67 77.58 Favored 'General case' 0 C--N 1.364 1.224 0 O-C-N 123.782 0.676 . . . . 75.14 109.971 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' HB3' ' NH2' ' A' ' 75' ' ' ARG . 44.4 mt-10 -58.89 -41.93 88.33 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.386 0.674 . . . . 71.1 110.58 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 69.4 mmtt -66.44 -53.73 32.15 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.911 0.757 . . . . 74.42 109.409 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.9 pp -66.35 -31.95 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 112.035 0.383 . . . . 72.03 112.035 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -64.3 -47.92 77.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.676 0.39 . . . . 74.22 110.352 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.493 ' NH2' ' HB3' ' A' ' 71' ' ' GLU . 6.8 ptp180 -74.29 -33.9 63.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.313 0.486 . . . . 74.12 112.313 -172.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -79.98 -53.74 6.45 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.196 0.198 . . . . 70.5 110.79 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.2 35.01 68.35 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.345 0.403 . . . . 74.41 113.641 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.4 t -99.81 -163.73 1.06 Allowed 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.313 1.045 . . . . 74.44 109.578 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 m -131.45 51.75 2.12 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.148 0.579 . . . . 75.5 110.26 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -157.26 101.35 1.89 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.749 -0.834 . . . . 73.34 108.749 171.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.83 140.37 39.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 123.978 0.911 . . . . 74.52 110.167 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.598 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 11.1 tp10 -143.08 139.17 30.36 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.015 1.326 . . . . 72.14 107.868 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.508 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 63.3 t -132.43 109.73 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.436 -0.949 . . . . 74.14 108.436 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -103.24 109.0 20.44 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.148 0.579 . . . . 74.13 109.652 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -93.8 123.54 45.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 107.519 -1.289 . . . . 75.33 107.519 170.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 25.9 m-70 -114.36 112.71 23.49 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.375 -1.343 . . . . 72.1 107.375 -177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.558 ' HG ' ' HA ' ' A' ' 39' ' ' ILE . 20.3 m -149.34 123.05 9.23 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.312 0.645 . . . . 74.05 110.704 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.22 21.04 79.42 Favored Glycine 0 C--N 1.348 1.25 0 O-C-N 124.058 0.849 . . . . 42.41 113.052 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.37 -20.37 46.84 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 120.04 -0.311 . . . . 75.22 113.075 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -83.38 142.06 31.3 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.096 0.558 . . . . 74.24 110.154 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.2 m -124.62 116.48 22.47 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.391 0.676 . . . . 74.21 109.617 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -90.1 117.08 28.61 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.875 0.87 . . . . 74.11 108.964 173.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.2 p -97.46 104.65 16.69 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.496 0.718 . . . . 74.23 110.505 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.508 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 87.5 m-85 -96.79 103.22 15.13 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.482 -0.932 . . . . 71.41 108.482 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.246 0.901 0 C-N-CA 124.809 1.243 . . . . 72.41 109.38 -177.383 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 4.5 pp . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.04 -0.356 . . . . 71.2 110.04 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -54.04 -56.84 14.18 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.14 0.9 . . . . 75.41 109.728 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 40.1 tt0 -65.56 -32.79 74.57 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 119.323 -0.37 . . . . 74.54 111.522 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 61.3 mtp180 -61.01 -32.27 71.86 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.047 0.385 . . . . 73.45 110.8 176.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -83.16 -31.24 27.26 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 109.436 -0.579 . . . . 74.11 109.436 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.58 ' HB2' HD21 ' A' ' 66' ' ' LEU . 67.6 ttp85 -64.97 -41.29 95.57 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 122.717 0.407 . . . . 74.51 109.95 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.6 mm-40 -61.34 -39.09 89.28 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.902 0.751 . . . . 62.43 109.548 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 58.9 tp -62.33 -44.87 95.48 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.265 -0.879 . . . . 73.53 110.521 174.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.494 ' HB3' HD22 ' A' ' 62' ' ' LEU . 25.7 m-85 -72.36 -26.69 62.01 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.997 0.519 . . . . 73.22 111.954 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 11.7 mm-40 -78.18 -24.55 47.16 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.465 0.706 . . . . 72.31 109.252 175.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -75.75 -32.19 59.88 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.078 0.951 . . . . 74.13 109.754 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 83.8 mt -84.35 -18.07 37.38 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 114.582 -1.19 . . . . 71.15 110.948 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -54.38 -29.88 50.08 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.516 1.127 . . . . 72.34 111.821 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.64 -36.49 80.93 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.002 0.521 . . . . 64.01 111.945 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.42 -44.16 5.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.789 0.436 . . . . 75.35 110.49 -178.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.41 39.15 97.41 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.968 0.793 . . . . 61.33 113.204 -175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 t -71.96 -173.69 1.07 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.765 0.826 . . . . 75.4 110.822 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.9 pm0 -63.5 97.29 0.14 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.359 0.6 . . . . 75.22 110.286 173.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.8 mt -95.56 109.64 22.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.501 -1.296 . . . . 74.52 107.501 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.528 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 41.5 t -112.65 106.02 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 108.296 -1.001 . . . . 75.44 108.296 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.1 109.79 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.252 -1.018 . . . . 73.4 108.252 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -116.84 105.86 12.83 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.897 0.879 . . . . 65.45 109.282 -174.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 59.7 t -98.07 103.39 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.454 1.102 . . . . 75.45 108.858 -170.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 63.8 m170 -87.92 104.67 16.83 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.722 0.809 . . . . 74.5 109.332 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 40.3 mt -127.2 123.59 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 109.02 -0.733 . . . . 74.5 109.02 173.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 65.36 19.04 11.55 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.222 1.009 . . . . 64.53 112.874 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.96 -19.94 45.09 Favored Glycine 0 C--N 1.35 1.324 0 C-N-CA 123.061 0.362 . . . . 71.35 112.934 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 43.8 mt-10 -83.27 152.05 25.34 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.918 0.887 . . . . 74.44 110.618 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -121.68 129.62 52.89 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 124.365 1.066 . . . . 74.42 109.539 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 24.6 t70 -107.07 107.35 18.31 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.226 -1.398 . . . . 73.51 107.226 170.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -115.31 115.4 26.57 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.958 0.503 . . . . 63.31 109.951 -167.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 10.6 mt -119.3 107.56 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 108.677 -0.86 . . . . 64.34 108.677 -175.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 126.89 34.28 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.966 -1.124 . . . . 75.21 107.966 174.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.44 HG12 HD12 ' A' ' 65' ' ' LEU . 4.8 p -139.67 139.78 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 109.143 -0.688 . . . . 72.5 109.143 172.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 35.2 mtp180 -135.72 133.17 37.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.527 0.731 . . . . 74.14 109.479 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.3 m120 59.2 80.24 0.2 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.742 1.217 . . . . 74.14 111.271 170.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 pp -144.32 166.34 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.362 0.665 . . . . 75.11 112.222 -173.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.515 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 13.2 m -83.99 173.27 11.3 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.275 1.03 . . . . 64.14 110.564 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.593 ' HA ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.87 -24.37 55.72 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 111.996 0.369 . . . . 72.2 111.996 -178.782 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -75.31 -18.78 59.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.506 0.322 . . . . 63.21 111.051 172.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.515 ' HG3' ' HB2' ' A' ' 58' ' ' SER . 27.9 mt-10 -89.56 -42.37 11.46 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.359 0.663 . . . . 74.25 110.463 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.593 ' HG ' ' HA ' ' A' ' 59' ' ' LYS . 4.3 pp -69.17 -21.02 64.01 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 122.389 -0.194 . . . . 73.31 110.746 173.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -36.57 63.22 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 124.151 0.98 . . . . 75.23 110.155 171.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 14.1 mmmm -62.94 -31.01 72.01 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.612 -0.722 . . . . 72.43 110.676 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.443 ' O ' HG13 ' A' ' 69' ' ' ILE . 68.2 mt -61.12 -46.1 91.97 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.665 0.386 . . . . 74.5 110.035 176.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 26' ' ' ARG . 7.5 mp -58.44 -47.51 83.72 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 124.174 0.921 . . . . 71.34 110.8 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 10.0 pt-20 -70.62 -29.64 66.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.771 -0.649 . . . . 62.02 111.115 -175.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 12.9 mmp_? -64.4 -36.87 85.54 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.665 0.211 . . . . 73.44 110.57 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 65' ' ' LEU . 67.1 mt -66.79 -48.13 80.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 124.172 0.92 . . . . 75.33 109.942 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 6.9 ptm180 -60.53 -36.38 78.27 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 123.224 0.328 . . . . 73.21 110.571 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 30.4 mm-40 -59.41 -37.83 79.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.341 0.256 . . . . 74.3 110.75 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -75.11 -50.3 16.81 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.766 0.426 . . . . 74.11 110.541 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.4 pp -65.22 -29.21 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 116.242 -0.435 . . . . 74.31 111.27 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -76.48 -52.09 10.49 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.526 0.731 . . . . 73.12 110.814 176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -61.27 -44.81 96.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.965 0.906 . . . . 74.35 111.212 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.6 -41.05 69.41 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.648 0.779 . . . . 65.03 110.284 174.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.21 44.23 97.99 Favored Glycine 0 C--N 1.35 1.35 0 N-CA-C 111.456 -0.658 . . . . 60.01 111.456 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 t -123.32 150.49 43.54 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.762 0.825 . . . . 75.3 110.942 -168.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 m -97.85 2.98 49.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.03 0.932 . . . . 54.33 111.039 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 7.1 tp10 -84.61 41.42 0.85 Allowed 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.401 1.08 . . . . 62.54 110.037 -177.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.5 t -99.92 129.51 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.061 0.944 . . . . 70.34 110.406 -170.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 36.2 tt0 -139.04 106.55 5.57 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.303 -0.999 . . . . 74.41 108.303 174.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.67 113.64 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 108.398 -0.964 . . . . 74.15 108.398 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.431 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -101.27 106.39 17.58 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.028 -1.101 . . . . 72.33 108.028 -178.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.12 109.16 21.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.849 -1.167 . . . . 70.23 107.849 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.528 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 88.1 m-70 -99.5 113.1 25.28 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.818 -1.179 . . . . 75.25 107.818 -178.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.1 t -153.38 110.5 3.46 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.254 0.479 . . . . 72.31 110.247 -173.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.65 28.44 73.54 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 123.769 0.668 . . . . 45.32 112.936 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.1 -2.45 86.93 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-O 120.175 -0.236 . . . . 70.43 113.673 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -94.58 124.08 38.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.819 0.848 . . . . 74.31 109.339 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.1 m -115.87 112.47 21.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 74.44 110.133 -177.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -101.39 121.99 42.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.774 0.829 . . . . 72.52 109.249 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.5 p -104.01 115.82 31.12 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.97 0.908 . . . . 65.21 110.396 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -104.45 112.07 24.98 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.944 0.898 . . . . 75.53 110.168 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.5 m120 . . . . . 0 N--CA 1.48 1.037 0 C-N-CA 124.164 0.986 . . . . 71.34 110.811 178.696 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 109.117 -0.697 . . . . 73.32 109.117 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.3 mt -56.21 -39.29 72.25 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.326 -1.306 . . . . 72.05 111.567 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 8.9 tp10 -55.07 -42.02 72.23 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.321 1.013 . . . . 75.51 110.991 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -61.72 -34.36 75.66 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.332 -0.849 . . . . 73.0 110.944 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.51 -32.28 24.02 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.406 -0.816 . . . . 74.53 110.162 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -67.92 -37.96 82.32 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.147 0.579 . . . . 73.35 110.692 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 87.3 mm-40 -62.77 -40.02 95.98 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.303 -0.862 . . . . 73.12 110.342 175.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.81 -41.82 95.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.361 -0.836 . . . . 74.41 111.164 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' HB2' HD12 ' A' ' 62' ' ' LEU . 22.6 m-30 -65.23 -33.38 75.87 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.903 -0.589 . . . . 75.14 110.611 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.16 -37.72 84.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.76 0.824 . . . . 64.53 111.593 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 48.3 mt-10 -61.63 -37.24 83.24 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.497 0.719 . . . . 75.43 110.88 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 mt -81.53 -28.43 33.97 Favored 'General case' 0 CA--C 1.561 1.399 0 CA-C-O 121.552 0.691 . . . . 75.15 110.927 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -62.14 -35.26 78.24 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.44 1.096 . . . . 74.04 111.409 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.3 pt-20 -61.79 -28.9 69.79 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 123.399 0.437 . . . . 72.31 111.777 -177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -108.81 -13.87 14.69 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.034 -0.53 . . . . 73.43 110.781 -170.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.92 44.47 68.13 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.813 0.696 . . . . 65.13 112.275 171.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.0 t -101.26 171.23 7.72 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 109.302 -0.629 . . . . 73.32 109.302 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -80.11 142.16 35.09 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.812 0.339 . . . . 73.45 111.012 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.9 mt -117.1 112.56 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.499 -0.926 . . . . 74.41 108.499 176.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.608 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 73.3 t -101.49 101.67 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 108.818 -0.808 . . . . 74.31 108.818 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.88 111.32 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.1 -0.704 . . . . 74.21 109.1 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 43.7 tt0 -109.07 106.71 16.75 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.031 0.933 . . . . 72.45 109.284 -175.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 58.3 t -89.18 104.48 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 124.422 1.089 . . . . 74.34 109.508 -177.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.455 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 53.0 m170 -90.77 113.76 25.97 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.698 0.799 . . . . 74.11 108.868 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.433 HG23 ' HG3' ' A' ' 76' ' ' GLU . 23.8 mt -133.21 110.3 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 109.351 -0.611 . . . . 61.44 109.351 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.469 HD21 ' N ' ' A' ' 46' ' ' ASN . 0.7 OUTLIER 62.93 25.8 15.23 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.139 0.976 . . . . 64.13 112.297 170.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.9 -17.8 35.03 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 116.185 -0.461 . . . . 71.24 113.189 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 38.2 mt-10 -81.68 145.21 30.66 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.29 0.636 . . . . 70.14 110.449 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -123.39 128.82 50.4 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.361 1.064 . . . . 70.54 108.983 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 31.6 t70 -127.96 112.33 14.54 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.494 0.718 . . . . 74.14 109.354 178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -102.63 120.11 39.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.149 0.58 . . . . 75.05 109.856 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.7 mt -117.76 104.92 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.343 -0.984 . . . . 73.24 108.343 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.452 ' HG2' HG23 ' A' ' 40' ' ' VAL . 75.7 mtp180 -94.27 115.1 27.3 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.575 -0.898 . . . . 75.04 108.575 176.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' HB ' HG23 ' A' ' 57' ' ' ILE . 6.8 m -112.05 105.37 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 108.349 -0.982 . . . . 65.22 108.349 170.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -95.82 107.59 19.85 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.347 -0.612 . . . . 75.14 109.347 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER 66.7 88.52 0.11 Allowed 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.404 1.065 . . . . 74.33 109.597 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.0 pp -126.93 157.48 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 115.441 -0.799 . . . . 73.44 111.108 -175.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -101.26 -177.45 3.45 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.64 0.776 . . . . 70.2 112.026 -172.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -56.76 -42.49 79.47 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.006 1.323 . . . . 73.52 113.429 -170.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -31.34 18.74 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.526 0.731 . . . . 73.54 110.938 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.65 -37.73 87.36 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.869 -0.605 . . . . 62.11 111.567 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.3 pp -66.35 -24.15 66.46 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.853 0.461 . . . . 75.43 111.645 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.504 ' HA ' HD23 ' A' ' 66' ' ' LEU . 96.3 mttt -63.38 -25.86 68.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.428 0.691 . . . . 73.3 111.333 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 11.3 mmpt? -68.36 -22.68 64.65 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.738 -0.665 . . . . 75.5 112.115 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.559 HD21 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -70.77 -53.29 16.03 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.899 0.48 . . . . 71.33 111.073 -177.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -63.56 -30.49 71.6 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.441 0.463 . . . . 75.44 110.961 173.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -64.89 -38.44 90.99 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 123.101 0.56 . . . . 74.3 111.111 172.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 3.3 mmp_? -71.44 -22.62 61.81 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.772 0.429 . . . . 75.13 111.791 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 66' ' ' LEU . 63.6 mt -82.07 -47.57 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.813 0.845 . . . . 75.42 110.147 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 6.5 ppt_? -60.72 -36.32 78.54 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.135 -0.939 . . . . 75.53 111.164 -173.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -30.75 69.48 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 109.112 -0.699 . . . . 74.1 109.112 -176.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 33.6 mmtp -66.03 -57.49 7.63 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 108.423 -0.954 . . . . 73.45 108.423 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.438 HG22 HG23 ' A' ' 81' ' ' VAL . 2.4 pp -63.75 -26.59 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 O-C-N 123.461 0.476 . . . . 75.11 112.156 -172.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -78.84 -38.69 37.39 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.244 0.618 . . . . 74.21 112.219 175.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -75.27 -44.25 46.89 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 122.961 0.504 . . . . 71.31 111.878 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' HG3' HG23 ' A' ' 45' ' ' ILE . 24.3 mm-40 -72.05 -45.36 61.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.115 0.566 . . . . 71.33 109.656 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.73 -5.14 32.35 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.136 -0.938 . . . . 63.4 113.508 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.9 p -79.66 143.44 34.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.971 0.908 . . . . 75.12 109.992 -172.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.6 t -76.4 -30.33 57.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.05 0.94 . . . . 74.04 111.097 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.5 84.98 1.13 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.621 0.769 . . . . 74.32 110.735 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 73' ' ' ILE . 56.9 t -135.51 133.18 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.27 1.028 . . . . 75.01 109.811 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -142.59 117.41 9.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.798 1.239 . . . . 72.2 108.992 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.2 t -99.45 117.61 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.424 0.69 . . . . 63.1 109.3 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.438 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER -101.93 108.07 19.41 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.149 -1.056 . . . . 73.33 108.149 177.637 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.8 t -92.58 108.56 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 107.172 -1.418 . . . . 74.15 107.172 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.608 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 62.0 m-70 -99.76 128.91 45.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.096 0.958 . . . . 75.42 108.61 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 t -157.64 112.32 2.67 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.109 -0.7 . . . . 73.1 109.109 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.47 26.45 71.8 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 123.689 0.618 . . . . 43.13 113.124 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.24 -18.31 49.27 Favored Glycine 0 C--N 1.349 1.255 0 C-N-CA 123.056 0.36 . . . . 74.45 113.341 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 21.8 mt-30 -79.25 142.81 35.87 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.87 0.868 . . . . 74.21 109.754 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.8 m -131.73 124.7 30.28 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 122.85 0.46 . . . . 73.41 109.867 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 -106.15 113.52 27.1 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.828 -1.175 . . . . 75.33 107.828 172.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.7 p -96.2 102.69 14.52 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.268 0.627 . . . . 64.42 109.933 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -91.12 105.67 17.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.638 -1.245 . . . . 74.34 107.638 174.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.241 0.646 0 N-CA-C 109.217 -0.66 . . . . 72.25 109.217 -177.074 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 120.338 0.114 . . . . 72.41 110.808 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.475 ' HB3' HD23 ' A' ' 66' ' ' LEU . 67.5 mt -56.7 -57.78 10.92 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 124.018 0.927 . . . . 73.24 111.395 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 38.6 tt0 -66.62 -21.3 66.12 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.782 -174.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -65.17 -37.44 87.38 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.982 0.513 . . . . 72.22 109.954 174.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.28 -34.83 63.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.87 -0.605 . . . . 74.42 110.409 172.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HB2' HD22 ' A' ' 66' ' ' LEU . 6.9 tmm_? -61.1 -36.67 80.31 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.118 0.567 . . . . 72.54 110.167 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 72.4 mm-40 -60.12 -45.65 92.28 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.321 0.581 . . . . 74.2 110.354 175.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.0 -37.73 88.63 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.665 -1.152 . . . . 75.35 110.94 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.422 ' HB3' HD23 ' A' ' 62' ' ' LEU . 21.7 m-30 -75.2 -28.18 59.88 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.316 0.647 . . . . 73.22 110.804 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HG3' HH11 ' A' ' 26' ' ' ARG . 37.5 mm-40 -69.73 -32.27 70.73 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.167 0.587 . . . . 65.24 110.666 171.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 40.4 tt0 -73.28 -34.81 65.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.625 0.77 . . . . 75.35 110.963 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 93.5 mt -79.21 -19.88 49.69 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 122.746 0.418 . . . . 71.03 110.418 175.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -66.74 -23.33 66.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.078 0.551 . . . . 74.04 111.072 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 1.9 pp20? -69.07 -24.22 64.13 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-O 119.778 -0.153 . . . . 73.51 111.054 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -114.82 -9.48 12.5 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 117.592 0.178 . . . . 74.12 110.84 174.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.92 27.83 67.58 Favored Glycine 0 C--N 1.351 1.367 0 C-N-CA 123.858 0.742 . . . . 74.32 114.858 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 t -73.72 179.9 3.95 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.422 0.689 . . . . 54.43 111.781 -171.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 9.8 pt-20 -71.92 113.17 8.67 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.01 -0.996 . . . . 63.34 110.828 174.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.456 HD12 HD13 ' A' ' 57' ' ' ILE . 61.3 mt -97.24 119.24 45.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.575 -0.898 . . . . 75.31 108.575 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 18.2 t -108.03 103.01 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.572 -0.899 . . . . 61.24 108.572 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' ' 65' ' ' LEU . 45.2 t -94.81 138.44 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 108.114 -1.069 . . . . 73.32 108.114 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.554 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 38.7 tt0 -138.3 108.29 6.36 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.978 0.354 . . . . 72.33 110.649 -173.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 41.7 t -88.88 119.4 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.579 0.752 . . . . 74.54 109.963 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -104.99 111.43 24.21 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.856 0.863 . . . . 75.52 109.924 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.1 mt -137.16 114.17 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 109.498 -0.556 . . . . 74.34 109.498 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.36 16.01 5.92 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.111 1.364 . . . . 65.5 113.683 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.94 -15.83 13.57 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 119.829 -0.429 . . . . 74.14 113.198 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.93 117.02 21.2 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.209 0.604 . . . . 74.04 110.344 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -96.19 122.61 39.23 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 108.579 -0.897 . . . . 75.44 108.579 170.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.544 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 36.0 t70 -110.8 109.27 19.4 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.353 -0.98 . . . . 75.41 108.353 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -92.72 131.94 37.36 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.389 -0.596 . . . . 71.12 109.389 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 mt -131.39 105.0 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 106.636 -1.616 . . . . 74.33 106.636 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.543 ' HG2' HG22 ' A' ' 40' ' ' VAL . 68.2 mtm180 -103.54 127.53 50.93 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.828 -0.805 . . . . 73.54 108.828 178.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -139.45 145.98 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 123.074 0.55 . . . . 71.04 109.635 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.43 ' HG2' ' HB3' ' A' ' 38' ' ' GLU . 68.5 mtp85 -128.14 142.94 51.04 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.215 0.606 . . . . 73.41 110.096 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 m120 51.89 77.26 0.15 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 124.9 1.375 . . . . 64.3 111.824 169.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.558 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.8 pp -140.48 145.59 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.475 0.71 . . . . 75.22 111.056 -173.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -93.79 -175.63 3.8 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.932 0.893 . . . . 64.53 111.442 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 60.0 pttt -52.33 -48.65 65.34 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.259 1.024 . . . . 75.22 112.369 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.54 -25.11 62.09 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.391 0.676 . . . . 74.2 111.427 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -83.54 -41.34 18.05 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.525 0.73 . . . . 73.14 111.119 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.558 ' HB3' HD11 ' A' ' 57' ' ' ILE . 4.6 pp -69.83 -20.47 63.43 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.404 -0.362 . . . . 75.14 110.786 176.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 11.2 mmmm -55.3 -29.81 58.97 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.325 0.65 . . . . 75.31 112.14 170.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -64.53 -32.82 74.63 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 123.363 0.414 . . . . 65.42 111.288 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.462 ' HB3' HG23 ' A' ' 41' ' ' VAL . 62.9 mt -63.62 -37.56 87.8 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.545 0.738 . . . . 74.44 110.03 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 26' ' ' ARG . 6.3 mp -65.71 -46.74 77.83 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 114.773 -1.103 . . . . 73.44 109.834 176.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 43.8 mt-10 -70.88 -23.11 62.24 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.463 -0.79 . . . . 61.2 112.005 -177.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -63.86 -41.57 97.76 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.42 0.688 . . . . 75.22 110.898 173.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.7 mt -65.5 -42.39 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 115.112 -0.949 . . . . 73.23 109.546 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 2.3 ptp180 -61.01 -38.8 87.35 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 123.781 0.675 . . . . 74.54 110.474 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 44.1 mt-10 -59.03 -35.5 73.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.409 0.684 . . . . 62.34 110.776 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HA ' ' HG2' ' A' ' 75' ' ' ARG . 17.8 mmtp -83.91 -44.45 14.24 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 116.032 -0.531 . . . . 74.22 110.926 -172.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.8 pt -70.33 -27.17 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 116.774 -0.194 . . . . 74.05 110.893 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.29 -30.14 19.86 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.224 0.61 . . . . 74.22 112.156 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' A' ' 72' ' ' LYS . 3.1 ptm180 -68.36 -35.49 77.81 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 118.871 0.76 . . . . 75.15 109.738 174.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 78' ' ' SER . 10.0 tp10 -86.95 -75.94 0.38 Allowed 'General case' 0 C--N 1.349 0.548 0 N-CA-C 109.485 -0.561 . . . . 73.4 109.485 177.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.94 -20.55 31.11 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-O 119.61 -0.55 . . . . 53.32 112.413 -175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.401 ' H ' ' HG3' ' A' ' 76' ' ' GLU . 58.4 m -62.11 143.67 56.36 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.554 0.742 . . . . 70.33 111.436 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.2 m -76.79 -5.88 50.0 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.029 0.931 . . . . 73.04 111.213 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -78.51 77.17 5.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.966 1.306 . . . . 74.01 109.497 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.01 133.76 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 115.255 -0.884 . . . . 75.23 110.597 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -128.7 124.12 34.85 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.729 1.612 . . . . 71.42 107.781 172.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.96 120.48 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 108.85 -0.796 . . . . 55.24 108.85 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -103.02 146.66 28.02 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.076 -0.712 . . . . 74.02 109.076 177.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.44 142.49 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 106.963 -1.495 . . . . 70.44 106.963 169.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.595 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 22.3 m-70 -136.02 131.05 34.46 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 107.95 -1.13 . . . . 74.41 107.95 -177.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 p -159.21 136.28 9.66 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.595 -0.52 . . . . 71.02 109.595 171.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.74 -88.38 0.29 Allowed Glycine 0 C--N 1.351 1.383 0 O-C-N 123.714 0.634 . . . . 53.54 112.272 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.79 9.27 1.18 Allowed Glycine 0 N--CA 1.47 0.965 0 N-CA-C 111.72 -0.552 . . . . 71.03 111.72 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -98.96 146.35 26.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.147 0.979 . . . . 74.52 109.38 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.5 m -138.18 122.5 18.23 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.635 0.774 . . . . 74.14 110.109 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -103.36 145.54 29.83 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.597 1.159 . . . . 72.5 108.884 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.3 p -133.0 139.69 47.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.23 0.612 . . . . 72.31 109.875 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -121.99 104.64 9.66 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.098 -1.445 . . . . 74.34 107.098 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 123.0 0.52 . . . . 75.43 110.166 -177.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 119.691 -0.195 . . . . 71.4 110.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 70' ' ' ARG . 93.6 mt -49.52 -42.44 43.73 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.059 0.943 . . . . 73.3 111.051 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 11.2 tp10 -56.47 -44.25 80.41 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.143 0.902 . . . . 71.51 111.001 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -67.17 -33.68 75.92 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 114.922 -1.035 . . . . 74.01 111.302 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.03 -30.52 55.76 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.618 -0.512 . . . . 71.33 109.618 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.514 ' HB2' HD13 ' A' ' 66' ' ' LEU . 31.5 ttt180 -58.12 -53.61 56.26 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.246 1.018 . . . . 75.44 109.506 174.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 74.8 mm-40 -52.97 -43.73 66.62 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.777 1.298 . . . . 73.14 110.914 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -61.56 -49.29 77.26 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.511 -1.222 . . . . 75.3 111.04 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.27 -39.31 94.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.171 0.588 . . . . 71.13 111.797 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.84 -32.73 72.62 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.431 0.693 . . . . 62.51 111.141 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.81 -45.6 60.98 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.972 0.509 . . . . 71.21 110.782 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.5 mt -71.14 -20.33 62.32 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.631 0.772 . . . . 74.53 111.163 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -60.55 -19.71 58.12 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.499 1.12 . . . . 75.3 112.503 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.79 -32.4 72.68 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.261 0.624 . . . . 64.42 111.774 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -23.61 10.63 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.754 0.422 . . . . 74.54 110.359 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.66 41.12 99.86 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 123.721 0.638 . . . . 65.25 112.621 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 p -69.54 165.63 20.62 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.232 0.613 . . . . 75.44 110.989 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.11 98.21 0.29 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.938 -1.028 . . . . 73.33 110.331 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.534 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 63.7 mt -91.13 106.17 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.167 -1.42 . . . . 73.52 107.167 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 50.0 t -103.03 102.45 13.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 114.491 -1.231 . . . . 75.12 108.121 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG13 HD11 ' A' ' 69' ' ' ILE . 56.5 t -94.68 109.83 22.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 107.66 -1.237 . . . . 75.42 107.66 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -110.41 106.9 16.41 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.381 -0.97 . . . . 74.31 108.381 -173.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.588 HG11 ' HG3' ' A' ' 72' ' ' LYS . 90.1 t -102.27 117.91 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.517 1.127 . . . . 62.21 109.535 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 26.9 m-70 -118.13 116.23 26.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.454 0.702 . . . . 75.04 109.21 176.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.487 HG21 ' ND2' ' A' ' 46' ' ' ASN . 23.6 mt -126.98 122.55 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.257 0.623 . . . . 74.21 110.027 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' ND2' HG21 ' A' ' 45' ' ' ILE . 38.4 m-80 63.95 -74.52 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.759 1.623 . . . . 72.42 110.679 -171.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.71 -3.9 0.18 Allowed Glycine 0 N--CA 1.473 1.136 0 CA-C-N 115.763 -0.653 . . . . 71.34 112.772 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -89.24 143.01 27.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.834 0.854 . . . . 75.01 109.512 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -116.62 153.44 32.27 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.859 0.863 . . . . 71.12 109.818 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -149.17 115.09 5.7 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.961 -0.563 . . . . 75.44 109.627 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -99.25 125.88 44.95 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.786 0.835 . . . . 74.33 109.284 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 mt -126.39 107.23 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 107.435 -1.321 . . . . 74.42 107.435 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.5 mtm105 -112.76 106.84 15.29 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.312 0.645 . . . . 74.51 110.176 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.72 144.51 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.748 1.219 . . . . 64.22 108.628 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -115.76 -92.15 0.52 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.161 0.437 . . . . 74.24 110.108 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -97.2 46.36 1.04 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.668 0.787 . . . . 72.51 109.469 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -59.44 165.24 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 115.149 -0.932 . . . . 74.31 111.52 172.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -78.75 164.54 24.47 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 120.972 0.415 . . . . 63.21 110.718 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.05 62.29 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.276 0.63 . . . . 74.34 111.992 -174.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -88.65 -25.61 22.31 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.626 0.77 . . . . 73.34 110.665 170.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.49 -28.7 66.29 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.067 0.547 . . . . 54.24 111.097 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.624 ' HA ' HD22 ' A' ' 65' ' ' LEU . 4.6 pp -69.0 -20.15 64.15 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 112.029 0.381 . . . . 75.42 112.029 176.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -66.48 -24.43 66.42 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.849 0.46 . . . . 73.23 110.568 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 13.5 mmmm -67.38 -24.89 65.74 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 123.715 0.806 . . . . 71.15 110.882 175.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.67 -46.17 73.12 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.2 -0.667 . . . . 73.21 109.2 174.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.514 HD13 ' HB2' ' A' ' 26' ' ' ARG . 45.2 mt -61.44 -37.85 85.05 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.215 -0.902 . . . . 72.53 110.035 176.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.57 -38.25 90.34 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.916 1.286 . . . . 63.11 111.423 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 4.7 mmp_? -69.87 -49.1 55.63 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 116.303 -0.408 . . . . 74.23 110.093 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.477 HD11 HG13 ' A' ' 41' ' ' VAL . 79.8 mt -61.55 -43.62 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.477 0.711 . . . . 75.55 110.75 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.434 ' HB3' HD12 ' A' ' 22' ' ' LEU . 13.4 ptm180 -64.63 -39.52 93.85 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 116.19 -0.459 . . . . 75.21 111.278 -176.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 2.3 pp20? -70.54 -21.25 62.74 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-O 119.344 -0.36 . . . . 74.14 110.547 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.588 ' HG3' HG11 ' A' ' 43' ' ' VAL . 70.3 mmtt -68.69 -58.49 4.16 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 107.611 -1.255 . . . . 74.24 107.611 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.15 -23.72 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 115.039 -0.982 . . . . 71.24 112.222 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -80.25 -49.75 11.16 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.856 0.862 . . . . 71.43 111.477 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -63.85 -37.79 88.69 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 120.992 0.425 . . . . 72.41 110.099 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -76.52 -48.55 19.07 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.841 0.857 . . . . 73.35 109.733 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.73 27.28 70.83 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.406 -0.816 . . . . 75.21 112.21 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.3 m -105.53 131.41 52.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.088 0.955 . . . . 74.12 110.039 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 m -77.75 -9.23 58.9 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.183 0.993 . . . . 74.44 111.031 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -79.94 79.92 6.41 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.514 -0.921 . . . . 74.2 108.514 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.7 141.51 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-O 121.454 0.645 . . . . 73.42 111.092 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 10.0 tp10 -135.41 137.6 42.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.382 1.473 . . . . 73.43 108.33 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 89.5 t -138.61 108.93 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 108.071 -1.085 . . . . 75.43 108.071 173.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.1 108.52 19.91 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.735 -0.839 . . . . 75.34 108.735 173.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 91' ' ' THR . 96.9 t -94.0 111.09 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.583 -0.895 . . . . 75.42 108.583 176.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.543 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 14.8 m-70 -100.39 144.7 29.08 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.208 1.003 . . . . 55.33 108.778 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.7 p -161.44 105.46 1.28 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.935 0.494 . . . . 73.25 110.463 172.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.54 16.04 58.11 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 116.005 1.162 . . . . 62.42 116.005 167.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.28 -12.61 6.03 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 117.42 0.61 . . . . 72.13 113.758 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -110.51 147.45 34.12 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 117.749 0.774 . . . . 72.04 111.252 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 96.7 m -139.44 129.61 25.24 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.65 0.78 . . . . 74.3 110.726 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.1 m-90 -110.73 127.29 55.27 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.086 0.954 . . . . 73.33 109.592 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 m -95.62 119.83 34.81 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.043 0.937 . . . . 75.42 109.295 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.552 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 79.0 m-85 -118.56 117.75 29.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.632 0.773 . . . . 74.43 109.193 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.0 m120 . . . . . 0 N--CA 1.472 0.645 0 C-N-CA 124.074 0.95 . . . . 75.14 109.611 -175.579 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' O ' HD12 ' A' ' 25' ' ' LEU . 58.8 tp . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.7 -0.482 . . . . 73.25 109.7 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.543 ' HB3' HD13 ' A' ' 66' ' ' LEU . 75.3 mt -65.25 -33.93 77.16 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.492 -0.776 . . . . 73.2 111.484 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 35.4 tt0 -57.63 -44.04 85.26 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.486 0.714 . . . . 75.41 110.331 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -60.24 -33.93 72.98 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 124.132 0.895 . . . . 74.53 110.816 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 21' ' ' LEU . 9.1 mp -80.83 -32.72 35.03 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.538 -0.755 . . . . 74.4 110.001 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -65.38 -47.33 76.73 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 123.572 0.749 . . . . 74.5 109.529 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 80.8 mm-40 -54.62 -40.8 69.29 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.639 1.212 . . . . 74.1 110.351 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.7 tp -71.01 -42.01 70.13 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 115.202 -0.908 . . . . 74.33 111.272 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' HB2' HD12 ' A' ' 62' ' ' LEU . 22.3 m-85 -66.77 -35.64 80.56 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.717 0.407 . . . . 71.01 110.227 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.6 -40.17 92.39 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.918 0.887 . . . . 70.12 110.092 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 11.1 tp10 -60.99 -45.36 95.11 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.977 0.911 . . . . 74.53 110.385 177.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 35' ' ' ARG . 65.1 mt -80.0 -23.71 41.36 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.137 0.575 . . . . 73.24 111.455 -176.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -57.31 -40.49 77.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.393 1.077 . . . . 61.34 111.656 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 9.5 pt-20 -65.98 -23.21 66.54 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.543 0.572 . . . . 74.25 112.543 -175.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -101.07 -17.48 16.68 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 122.12 -0.363 . . . . 72.25 110.775 175.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.51 30.94 72.99 Favored Glycine 0 C--N 1.352 1.442 0 O-C-N 123.863 0.727 . . . . 65.42 114.253 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 t -80.83 149.86 29.38 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.352 0.661 . . . . 65.13 109.609 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 7.4 pt-20 -68.61 117.05 9.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.648 0.737 . . . . 73.44 111.685 -174.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.533 HD13 HD12 ' A' ' 57' ' ' ILE . 62.1 mt -97.53 130.44 46.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.413 1.485 . . . . 70.2 109.86 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.508 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 38.8 t -105.52 109.95 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.606 -0.886 . . . . 74.43 108.606 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.3 t -92.48 110.56 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.824 -1.176 . . . . 74.13 107.824 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -118.44 104.87 11.11 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.586 -0.524 . . . . 74.13 109.586 -172.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 27.6 t -95.15 103.18 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.194 0.998 . . . . 75.13 109.431 -175.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -99.18 111.52 23.89 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.762 1.225 . . . . 72.52 109.758 176.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.478 HG23 ' HG3' ' A' ' 76' ' ' GLU . 49.1 mt -132.09 121.25 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 109.307 -0.627 . . . . 73.25 109.307 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 m120 58.21 37.01 26.18 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.808 1.243 . . . . 72.42 112.9 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.96 -7.86 79.93 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 116.14 -0.482 . . . . 73.12 113.754 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -90.5 147.82 23.14 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.386 0.675 . . . . 64.01 110.528 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -107.2 144.67 33.63 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.045 1.338 . . . . 64.44 110.093 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.514 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 33.9 t70 -138.68 110.88 7.36 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.569 -0.9 . . . . 55.3 108.569 171.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -102.44 122.64 44.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.257 0.623 . . . . 74.42 109.857 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.81 107.52 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 107.84 -1.17 . . . . 75.12 107.84 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.8 mtp-105 -102.26 142.25 33.78 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.696 -0.483 . . . . 55.41 109.696 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.35 151.75 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.095 1.358 . . . . 54.34 108.442 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 42.8 mtp180 -105.95 -67.57 0.92 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.545 0.338 . . . . 65.11 110.382 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -117.24 103.59 10.32 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.792 0.837 . . . . 74.54 109.453 176.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.533 HD12 HD13 ' A' ' 39' ' ' ILE . 1.1 pp -117.29 119.0 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.979 0.912 . . . . 72.44 110.162 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m -65.6 177.57 1.18 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.958 0.903 . . . . 65.32 112.372 -174.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -37.18 78.79 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.514 0.725 . . . . 75.12 112.909 -168.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.599 ' HA ' ' HE2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -89.92 -31.88 17.09 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.952 0.501 . . . . 73.23 110.691 175.348 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HG3' HG21 ' A' ' 57' ' ' ILE . 17.0 tp10 -68.03 -28.53 67.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.732 0.813 . . . . 73.03 111.641 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.554 ' HA ' HD21 ' A' ' 65' ' ' LEU . 4.4 pp -70.73 -27.22 63.8 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.91 0.484 . . . . 75.03 110.558 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.599 ' HE2' ' HA ' ' A' ' 60' ' ' GLU . 45.3 mtmt -69.49 -20.54 63.73 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 115.416 -0.811 . . . . 74.21 110.525 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 31.4 mmmt -70.48 -21.64 62.75 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.083 0.553 . . . . 75.32 110.412 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 62' ' ' LEU . 4.1 mm? -69.83 -54.13 14.99 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.093 0.557 . . . . 75.53 110.416 176.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.561 ' HA ' HD11 ' A' ' 69' ' ' ILE . 3.7 pp -69.37 -19.7 63.83 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.704 -0.68 . . . . 75.32 111.384 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 25.9 tt0 -69.49 -44.17 71.64 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.454 0.702 . . . . 73.3 110.013 171.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 6.2 mmp_? -59.65 -37.22 78.14 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.497 0.319 . . . . 74.21 110.899 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.561 HD11 ' HA ' ' A' ' 66' ' ' LEU . 78.5 mt -64.34 -46.8 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.121 0.969 . . . . 74.34 110.697 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.541 ' HB3' HD13 ' A' ' 22' ' ' LEU . 29.2 ptt180 -63.17 -33.18 74.91 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 123.618 0.574 . . . . 75.21 110.298 -177.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 32.6 mm-40 -59.16 -40.72 86.46 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 123.863 0.727 . . . . 74.1 110.046 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 22.8 mmtp -74.04 -49.19 25.3 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 123.827 0.704 . . . . 74.24 109.592 -174.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.2 pp -64.39 -32.55 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.465 0.478 . . . . 74.12 111.331 -173.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -78.29 -38.68 41.94 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.629 0.772 . . . . 74.52 110.935 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -63.37 -42.07 98.84 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.568 0.747 . . . . 74.13 111.11 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG3' HG23 ' A' ' 45' ' ' ILE . 27.5 mm-40 -69.85 -45.3 68.05 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.564 -0.743 . . . . 74.41 109.961 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.92 -24.74 6.47 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 115.623 -0.717 . . . . 73.45 112.664 -175.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 m -73.48 135.25 44.06 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.286 1.035 . . . . 62.54 110.893 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m -74.43 -20.08 60.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.109 0.964 . . . . 71.13 111.763 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -72.99 84.71 1.27 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.615 0.766 . . . . 72.54 109.794 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.5 m -127.91 145.0 35.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 123.916 0.886 . . . . 75.31 109.884 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.497 ' HG3' ' HB3' ' A' ' 95' ' ' ASN . 32.2 tt0 -142.97 108.01 4.94 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.886 0.874 . . . . 74.44 109.846 -177.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.39 114.3 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.18 0.592 . . . . 74.21 109.461 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -102.37 106.66 17.47 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 107.193 -1.41 . . . . 74.34 107.193 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.37 107.81 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 108.893 -0.78 . . . . 74.43 108.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.508 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 46.4 m-70 -96.52 144.92 26.16 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.524 -1.287 . . . . 74.1 107.524 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -161.06 108.95 1.52 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.672 -0.862 . . . . 72.53 108.672 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.6 -94.31 0.34 Allowed Glycine 0 C--N 1.351 1.407 0 N-CA-C 111.675 -0.57 . . . . 62.25 111.675 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.12 3.1 4.81 Favored Glycine 0 N--CA 1.474 1.183 0 C-N-CA 123.496 0.569 . . . . 64.55 112.133 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -94.08 145.89 24.35 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.854 0.861 . . . . 74.25 110.331 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.2 m -141.59 129.45 21.8 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.118 0.567 . . . . 75.55 110.449 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 22.4 m-90 -111.82 115.64 29.37 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.435 1.094 . . . . 75.31 108.494 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.1 p -97.91 102.28 13.99 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.889 0.476 . . . . 74.23 109.722 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.99 107.06 18.94 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.002 -1.11 . . . . 74.25 108.002 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.497 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . 3.8 p30 . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.017 -0.734 . . . . 75.13 109.017 -177.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 109.233 -0.654 . . . . 72.25 109.233 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 70' ' ' ARG . 87.4 mt -61.34 -33.37 73.51 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.568 0.747 . . . . 70.42 111.919 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 36.1 tp10 -49.94 -45.44 51.22 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 124.796 1.31 . . . . 74.54 110.799 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -57.93 -37.28 73.81 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.643 1.215 . . . . 75.52 111.652 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.2 mp -85.41 -36.29 20.76 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.558 -0.746 . . . . 74.12 109.701 -176.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HB2' HD11 ' A' ' 66' ' ' LEU . 8.4 tmm_? -68.41 -37.97 80.82 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.707 0.803 . . . . 62.22 110.393 -175.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 88.7 mm-40 -61.94 -36.47 81.48 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.875 0.734 . . . . 75.32 110.656 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.5 -42.34 74.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.266 0.626 . . . . 72.4 110.626 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -63.6 -39.06 93.41 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.78 0.432 . . . . 73.24 111.171 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.34 -38.51 87.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.482 0.713 . . . . 75.2 110.51 174.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -67.04 -33.71 76.12 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.158 -0.928 . . . . 70.2 110.798 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.545 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 86.4 mt -87.99 -17.88 30.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.539 0.736 . . . . 74.34 110.758 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -58.79 -35.01 72.14 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.053 0.941 . . . . 73.23 112.213 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.93 -24.4 62.44 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.415 0.524 . . . . 74.33 112.415 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 ptm180 -97.79 -27.51 14.28 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.215 0.206 . . . . 73.4 110.913 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.11 83.07 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 113.936 0.334 . . . . 71.32 113.936 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -77.12 169.81 17.66 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.004 0.922 . . . . 74.21 110.488 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 5.9 pt-20 -71.59 100.92 2.38 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.059 0.933 . . . . 75.41 110.252 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 39.5 mt -93.69 106.87 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 107.895 -1.15 . . . . 65.11 107.895 176.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.528 HG13 ' HG2' ' A' ' 53' ' ' ARG . 47.9 t -102.3 103.54 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.062 -1.088 . . . . 74.53 108.062 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.427 HG11 HD13 ' A' ' 69' ' ' ILE . 78.6 t -103.28 117.08 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.999 -0.741 . . . . 72.41 108.999 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 28.6 tt0 -127.1 114.64 18.0 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.954 0.407 . . . . 71.33 110.795 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 t -88.93 114.34 26.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.415 1.086 . . . . 65.53 109.868 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -99.07 105.29 17.38 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.668 0.787 . . . . 75.43 109.453 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.548 HD12 ' HB3' ' A' ' 72' ' ' LYS . 12.3 mt -134.91 120.6 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 123.633 0.773 . . . . 73.25 109.532 177.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 54.8 23.16 4.66 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.024 1.33 . . . . 74.33 113.933 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.98 -25.25 16.97 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-O 120.115 -0.269 . . . . 65.23 112.714 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -83.26 147.16 28.15 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.252 0.621 . . . . 64.55 110.742 -175.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -126.02 112.84 16.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.875 0.87 . . . . 75.11 110.139 -175.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 25.1 t70 -89.67 107.27 18.99 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.443 -1.317 . . . . 74.42 107.443 172.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -103.07 118.07 35.98 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.243 -0.651 . . . . 61.34 109.243 -173.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.5 mt -127.82 133.77 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 N-CA-C 107.859 -1.163 . . . . 72.24 107.859 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.528 ' HG2' HG13 ' A' ' 40' ' ' VAL . 23.8 mtp180 -128.31 105.9 8.65 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.699 -0.852 . . . . 73.42 108.699 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.6 m -111.8 152.01 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.433 1.093 . . . . 74.54 108.593 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 76.5 mtt180 -127.62 -85.75 0.59 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.08 0.4 . . . . 74.31 109.942 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.17 83.19 6.5 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 108.225 -1.028 . . . . 75.11 108.225 177.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 62' ' ' LEU . 1.6 pp -109.31 164.82 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 114.949 -1.023 . . . . 73.53 110.52 177.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.2 m -105.21 -178.36 3.63 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.871 0.868 . . . . 73.44 110.16 177.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.88 85.59 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 113.396 0.887 . . . . 74.42 113.396 -170.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.3 -28.41 25.31 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 118.08 0.4 . . . . 73.02 110.487 178.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.54 -44.1 95.18 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.888 -0.596 . . . . 75.2 111.241 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.58 ' HA ' HD22 ' A' ' 65' ' ' LEU . 4.4 pp -68.11 -23.91 64.97 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 122.504 0.322 . . . . 72.33 111.031 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HA ' HD22 ' A' ' 66' ' ' LEU . 98.2 mttt -64.32 -28.91 70.04 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 115.949 -0.569 . . . . 74.53 111.004 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -65.04 -20.75 66.64 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 123.503 0.502 . . . . 75.31 111.433 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.85 -59.5 3.25 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.9 0.48 . . . . 73.15 109.731 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.559 ' HA ' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -68.7 -19.02 64.36 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 119.136 -0.459 . . . . 73.14 111.922 178.78 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 11.9 mm-40 -64.97 -50.73 65.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.013 0.525 . . . . 74.44 110.457 170.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 2.0 mmp_? -58.76 -40.97 85.46 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.756 0.422 . . . . 73.41 110.867 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 66' ' ' LEU . 70.6 mt -63.13 -51.16 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.52 1.128 . . . . 75.02 111.066 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 4.1 ppt_? -66.22 -29.69 70.0 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 115.843 -0.617 . . . . 73.53 110.901 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 40.9 mt-10 -62.83 -40.79 98.51 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.251 0.97 . . . . 73.55 109.194 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.548 ' HB3' HD12 ' A' ' 45' ' ' ILE . 44.8 mmtm -65.88 -53.45 39.45 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.084 0.865 . . . . 73.31 109.785 -175.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.1 pt -73.82 -25.75 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 N-CA-C 112.913 0.709 . . . . 72.54 112.913 -173.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.17 -39.36 41.11 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 117.836 0.289 . . . . 61.43 110.482 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -79.52 -36.85 37.84 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 120.556 0.217 . . . . 74.4 110.429 -176.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -71.41 -57.63 4.26 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.59 0.756 . . . . 70.32 109.758 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.82 -48.83 3.74 Favored Glycine 0 C--N 1.339 0.745 0 CA-C-N 115.822 -0.626 . . . . 52.51 111.989 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.1 m -52.44 118.33 3.5 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.966 0.906 . . . . 74.21 111.381 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.1 m -72.98 77.75 1.18 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.001 0.92 . . . . 72.14 110.579 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -153.53 85.39 1.19 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.523 -1.288 . . . . 73.32 107.523 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.38 129.34 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.659 -0.7 . . . . 75.43 110.263 -175.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -131.02 106.14 8.2 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.325 -0.991 . . . . 74.53 108.325 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.408 HG12 HD11 ' A' ' 69' ' ' ILE . 98.4 t -98.54 111.89 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 108.231 -1.025 . . . . 75.54 108.231 -177.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.25 106.25 17.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.454 -1.313 . . . . 74.31 107.454 -176.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 66.9 t -97.49 111.98 28.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 N-CA-C 107.773 -1.195 . . . . 74.25 107.773 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.512 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 27.2 m-70 -106.27 142.64 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.92 -1.141 . . . . 73.34 107.92 -177.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p -159.95 103.05 1.48 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.423 -0.584 . . . . 63.1 109.423 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 51.99 58.02 11.52 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 123.697 0.623 . . . . 72.1 113.645 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.25 -30.61 5.11 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-O 119.75 -0.472 . . . . 71.45 114.035 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -84.79 130.36 34.69 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.572 0.749 . . . . 55.14 110.69 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.1 m -134.43 128.02 32.69 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 118.421 0.555 . . . . 75.35 111.431 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -112.28 119.1 37.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.832 1.253 . . . . 75.15 108.928 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.3 p -95.58 102.57 14.39 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.47 -0.567 . . . . 74.22 109.47 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.5 130.39 35.84 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.159 0.984 . . . . 75.43 109.596 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--O 1.24 0.577 0 C-N-CA 123.029 0.532 . . . . 74.44 110.214 -179.162 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 112.246 0.462 . . . . 73.43 112.246 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.579 ' HB3' HD13 ' A' ' 66' ' ' LEU . 55.3 mt -65.38 -44.66 86.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.142 0.577 . . . . 70.13 110.871 -178.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 35.1 tt0 -56.18 -42.2 76.74 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.77 0.669 . . . . 71.42 110.676 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -61.68 -34.79 76.36 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.202 -0.908 . . . . 75.34 110.909 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.5 mt -75.59 -42.05 53.0 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.308 0.643 . . . . 75.55 109.447 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -55.54 -44.53 76.84 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 114.885 -1.052 . . . . 75.23 111.229 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.1 mm-40 -59.42 -39.06 82.28 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.961 0.788 . . . . 74.33 111.57 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.65 -44.75 69.94 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.265 0.353 . . . . 71.54 110.781 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HB2' HD11 ' A' ' 62' ' ' LEU . 19.4 m-85 -63.69 -36.54 84.2 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.306 -0.406 . . . . 75.35 110.786 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -72.14 -28.75 63.46 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.501 0.72 . . . . 62.03 110.653 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -64.28 -36.86 85.46 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.227 0.611 . . . . 74.42 109.889 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD21 ' CH2' ' A' ' 92' ' ' TRP . 69.9 mt -77.54 -29.91 52.54 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.282 1.033 . . . . 75.25 111.701 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -56.35 -20.48 19.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.676 1.19 . . . . 75.11 112.947 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.36 -40.22 64.79 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.271 0.628 . . . . 75.33 112.056 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HG3' HG21 ' A' ' 37' ' ' THR . 3.1 ptm180 -117.97 -0.63 11.63 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.592 1.157 . . . . 71.54 110.268 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.42 -66.77 2.62 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.482 -0.781 . . . . 74.31 112.127 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.469 HG21 ' HG3' ' A' ' 35' ' ' ARG . 73.1 p 50.47 171.12 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.353 1.861 . . . . 73.32 114.971 -177.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 11.4 pt-20 -106.98 105.36 15.35 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.771 -1.104 . . . . 72.51 109.273 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.7 mt -94.71 110.45 23.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 116.023 -0.535 . . . . 72.33 109.564 -172.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -102.86 104.99 17.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 107.833 -1.173 . . . . 61.13 107.833 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.505 HG11 HD13 ' A' ' 69' ' ' ILE . 57.5 t -94.8 116.7 36.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 108.888 -0.782 . . . . 73.1 108.888 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 44.4 tt0 -111.09 106.94 16.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.617 0.767 . . . . 74.54 109.25 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 43.2 t -96.9 105.56 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.374 0.67 . . . . 73.35 109.543 -174.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 65.5 m170 -86.8 108.03 18.55 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.728 0.811 . . . . 74.51 109.293 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.4 mt -127.38 123.65 62.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 124.061 0.944 . . . . 73.23 109.144 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 m120 61.64 27.31 16.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.0 0.92 . . . . 75.34 112.22 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.26 -23.19 35.89 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 116.072 -0.513 . . . . 54.32 113.159 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -81.49 136.22 35.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.039 0.936 . . . . 64.33 111.516 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -93.54 116.01 28.52 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.367 0.603 . . . . 75.54 109.94 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 20.5 t70 -89.12 135.33 33.62 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 107.866 -1.161 . . . . 74.51 107.866 171.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -116.22 122.34 44.71 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.299 0.499 . . . . 71.13 110.886 -175.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -121.65 127.57 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 107.419 -1.326 . . . . 74.0 107.419 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -122.38 128.21 50.68 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 118.327 0.512 . . . . 75.4 109.934 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.9 142.77 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.007 -1.108 . . . . 74.43 108.007 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 33.8 mtp-105 -133.41 110.47 10.03 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.305 0.502 . . . . 75.52 110.913 -174.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.4 m120 61.18 87.76 0.09 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.042 1.337 . . . . 74.43 111.591 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.515 ' HB ' ' HB2' ' A' ' 61' ' ' GLU . 1.3 pp -139.9 172.01 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.104 0.961 . . . . 71.21 111.003 -173.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -86.26 175.29 8.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.991 0.917 . . . . 75.11 111.712 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 25.0 pttm -59.63 -33.78 71.94 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.403 0.681 . . . . 73.14 111.412 178.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.437 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 14.3 pt-20 -77.24 -26.13 52.27 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.041 0.536 . . . . 70.25 111.714 -177.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.515 ' HB2' ' HB ' ' A' ' 57' ' ' ILE . 38.4 mm-40 -90.66 -26.48 19.58 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.663 0.616 . . . . 75.31 112.663 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 29' ' ' PHE . 4.3 pp -73.34 -20.35 60.8 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.741 -0.466 . . . . 74.35 109.741 171.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 60' ' ' GLU . 9.4 mtmp? -57.42 -34.73 69.22 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-N 115.965 -0.561 . . . . 75.42 109.714 168.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 30.9 mmtp -59.62 -23.57 63.1 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.725 0.41 . . . . 73.21 111.108 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 69' ' ' ILE . 90.7 mt -70.72 -51.64 26.14 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.556 0.743 . . . . 74.33 110.823 177.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.579 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.3 pp -74.34 -19.43 60.46 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.101 0.561 . . . . 75.21 111.521 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 44.6 mt-10 -79.0 -30.93 44.55 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.634 0.773 . . . . 63.24 109.613 173.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 15.2 mmt180 -63.68 -45.65 89.11 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.748 -0.464 . . . . 75.21 109.748 167.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.505 HD13 HG11 ' A' ' 41' ' ' VAL . 78.2 mt -65.66 -35.62 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.98 0.912 . . . . 71.53 110.868 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 9.9 ptt180 -64.9 -35.67 81.88 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.585 -0.524 . . . . 65.54 109.585 -178.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 46.4 mt-10 -61.52 -32.81 72.87 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.427 0.632 . . . . 74.45 109.684 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 23.8 mmtp -76.83 -47.78 20.43 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.372 -0.831 . . . . 70.44 110.174 -174.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.25 -19.86 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 116.669 -0.241 . . . . 73.23 111.579 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -83.87 -56.56 3.63 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.269 0.627 . . . . 75.41 111.96 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -79.39 -46.51 17.45 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.642 0.377 . . . . 72.13 110.443 -171.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 1.2 mp0 -77.04 -46.97 21.91 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.047 -0.723 . . . . 75.32 109.047 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.71 30.28 65.56 Favored Glycine 0 C--N 1.352 1.437 0 O-C-N 123.612 0.57 . . . . 73.24 113.933 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.1 m -90.93 130.48 36.86 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.268 0.627 . . . . 62.04 110.187 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 m -71.63 -27.43 63.09 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.717 0.807 . . . . 62.2 110.657 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -81.79 74.26 8.78 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.49 1.138 . . . . 73.44 109.084 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.02 133.84 67.14 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.242 -1.345 . . . . 72.24 108.846 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.618 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 35.4 tt0 -138.83 109.47 6.61 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.636 0.774 . . . . 74.21 109.319 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.15 111.55 25.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.541 -0.911 . . . . 70.5 108.541 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 25.5 m-80 -106.45 107.5 18.54 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.236 1.014 . . . . 74.13 108.316 -176.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.4 t -94.18 114.71 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.932 -0.766 . . . . 63.44 108.932 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -107.49 140.49 40.38 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 107.693 -1.225 . . . . 74.55 107.693 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 32.5 p -159.11 103.93 1.67 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 122.957 0.503 . . . . 63.13 110.368 177.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.08 29.52 71.21 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 115.676 -0.693 . . . . 74.13 114.127 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.16 -27.63 11.48 Favored Glycine 0 C--N 1.345 1.062 0 C-N-CA 122.918 0.294 . . . . 54.42 113.114 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -79.82 142.72 35.03 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.124 0.57 . . . . 74.22 110.109 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.7 m -137.04 140.45 42.07 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.622 0.769 . . . . 74.22 110.893 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.474 ' CH2' HD21 ' A' ' 32' ' ' LEU . 28.0 m-90 -132.0 115.77 16.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.363 1.065 . . . . 74.32 108.256 173.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 p -96.03 104.22 16.15 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.611 -0.514 . . . . 74.0 109.611 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -99.86 132.59 45.12 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.485 -0.931 . . . . 72.34 108.485 175.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.7 p30 . . . . . 0 N--CA 1.474 0.749 0 C-N-CA 123.332 0.653 . . . . 54.3 109.598 179.442 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.475 0.782 0 CA-C-O 121.853 0.835 . . . . 72.13 110.031 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.441 HD11 ' HB3' ' A' ' 70' ' ' ARG . 85.4 mt -68.83 -36.4 78.14 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 113.925 -1.489 . . . . 74.23 110.963 -173.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 13.7 tm-20 -59.73 -38.13 80.82 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.853 0.861 . . . . 74.32 110.73 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -65.03 -34.44 78.44 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.399 0.68 . . . . 75.15 111.359 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.0 -34.18 57.51 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 109.078 -0.712 . . . . 74.31 109.078 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.54 ' HG3' HD11 ' A' ' 66' ' ' LEU . 26.9 ttp180 -64.01 -40.75 97.06 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.997 1.319 . . . . 73.33 109.717 -174.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 24.9 mm-40 -53.34 -53.67 47.64 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.68 1.237 . . . . 72.01 109.691 176.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.32 -41.03 92.66 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 114.517 -1.22 . . . . 75.42 111.548 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.511 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 23.1 m-85 -66.84 -39.55 87.67 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.407 -0.361 . . . . 74.33 111.235 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.98 -36.1 82.4 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.944 0.898 . . . . 74.3 110.81 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 15.9 mm-40 -65.49 -54.49 27.58 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.841 0.713 . . . . 73.24 110.64 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.53 ' HB3' HG23 ' A' ' 37' ' ' THR . 85.7 mt -70.0 -25.22 63.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.531 0.732 . . . . 75.33 111.332 -176.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.468 ' NE2' ' HA ' ' A' ' 58' ' ' SER . 9.8 t-80 -55.88 -24.56 37.85 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.974 1.309 . . . . 74.22 112.405 175.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.97 -36.74 40.59 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.212 0.605 . . . . 71.44 111.567 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -20.34 10.56 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.784 0.433 . . . . 75.04 110.36 174.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.37 55.78 14.24 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.91 -0.587 . . . . 73.41 112.262 -174.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.53 HG23 ' HB3' ' A' ' 32' ' ' LEU . 14.1 t -69.82 159.95 32.66 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.141 0.577 . . . . 55.4 110.521 177.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.59 100.66 1.48 Allowed 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 121.888 0.851 . . . . 70.22 110.654 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.639 HD12 HD13 ' A' ' 57' ' ' ILE . 44.4 mt -95.29 110.04 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 124.234 1.014 . . . . 63.33 109.442 178.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.47 103.81 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 108.005 -1.109 . . . . 75.05 108.005 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.6 t -93.9 112.28 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 107.251 -1.389 . . . . 73.43 107.251 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 42.1 tt0 -116.05 108.18 15.88 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.528 0.68 . . . . 73.25 109.902 -172.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.491 HG11 ' HG3' ' A' ' 72' ' ' LYS . 57.5 t -91.69 105.75 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 124.834 1.254 . . . . 74.2 109.724 -174.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 33.0 m170 -92.75 100.28 12.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.04 0.936 . . . . 75.54 109.546 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.597 HG23 ' ND2' ' A' ' 46' ' ' ASN . 18.4 mt -128.53 128.88 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 109.676 -0.49 . . . . 73.42 109.676 175.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.597 ' ND2' HG23 ' A' ' 45' ' ' ILE . 51.1 m-80 63.04 21.78 13.08 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 125.021 1.328 . . . . 75.5 111.718 -176.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.88 -17.42 56.69 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 116.502 -0.317 . . . . 72.53 112.59 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 30.3 mt-10 -80.33 144.64 32.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.274 1.03 . . . . 74.34 110.395 -176.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -108.15 137.0 46.89 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 123.537 0.735 . . . . 75.21 109.996 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 34.0 t70 -123.62 113.82 19.18 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.204 -1.036 . . . . 73.0 108.204 171.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.52 127.01 43.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.505 0.722 . . . . 73.14 109.182 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.15 111.45 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.022 -1.103 . . . . 72.44 108.022 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -100.79 106.12 17.49 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.213 0.53 . . . . 74.51 110.122 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.85 153.89 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.939 1.296 . . . . 72.34 108.112 174.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mtp-105 -121.02 -77.6 0.59 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.205 0.526 . . . . 73.11 110.044 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -98.46 41.23 1.14 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.268 -0.878 . . . . 74.4 110.059 -164.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.639 HD13 HD12 ' A' ' 39' ' ' ILE . 1.6 pp -62.87 114.98 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 114.905 -1.043 . . . . 74.11 111.391 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.468 ' HA ' ' NE2' ' A' ' 33' ' ' HIS . 49.9 m -77.46 -173.45 2.92 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.256 -0.883 . . . . 74.45 111.919 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -53.29 -44.83 68.59 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 113.18 0.807 . . . . 74.35 113.18 -171.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.17 -29.89 21.43 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.59 0.756 . . . . 64.41 110.909 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -71.93 -30.16 65.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.334 0.654 . . . . 70.23 112.415 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 4.3 pp -75.51 -25.32 57.16 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.204 0.526 . . . . 74.1 109.99 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 8.5 mtpt -60.86 -25.84 66.94 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 115.07 -0.968 . . . . 73.32 111.205 171.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 31.0 mmmt -58.52 -34.62 71.16 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 123.443 0.464 . . . . 75.53 110.219 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 62' ' ' LEU . 3.5 mm? -69.22 -37.36 77.99 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.013 0.821 . . . . 74.14 110.469 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.54 HD11 ' HG3' ' A' ' 26' ' ' ARG . 43.2 mt -65.84 -40.98 92.29 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.421 -0.808 . . . . 73.11 109.772 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 12.7 mm-40 -71.47 -25.4 62.27 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.984 -1.007 . . . . 72.31 110.938 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 24.2 mmt180 -81.22 -20.24 41.51 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.373 0.669 . . . . 73.54 112.266 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.8 mt -86.29 -48.6 15.73 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 CA-C-O 121.257 0.551 . . . . 71.14 110.334 173.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HB3' HD11 ' A' ' 22' ' ' LEU . 15.0 ptm180 -61.39 -35.32 77.16 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 115.5 -0.773 . . . . 75.33 110.734 -174.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 13.0 pt-20 -62.44 -35.3 78.84 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 122.528 0.331 . . . . 73.42 110.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HG3' HG11 ' A' ' 43' ' ' VAL . 41.3 mmtm -69.85 -49.77 49.2 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.121 0.888 . . . . 63.21 109.977 -176.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.12 -21.61 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.993 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.08 -42.11 17.81 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.188 0.595 . . . . 73.13 112.235 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 13.6 ptm180 -72.36 -43.49 63.95 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 117.998 0.363 . . . . 74.35 111.005 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' HG2' ' HG3' ' A' ' 75' ' ' ARG . 16.0 mm-40 -81.49 -41.36 21.85 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.581 0.752 . . . . 60.13 110.694 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.07 15.32 64.97 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 115.462 -0.79 . . . . 70.33 112.674 -174.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -87.22 135.02 33.46 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.135 0.974 . . . . 64.24 110.111 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 m -78.6 -7.5 57.65 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 124.238 0.962 . . . . 74.23 111.124 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.545 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 19.1 mp0 -82.31 53.39 2.27 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.44 1.496 . . . . 64.43 110.348 -176.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.438 ' HA ' HG12 ' A' ' 45' ' ' ILE . 3.0 p -106.92 128.93 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.255 0.622 . . . . 73.52 111.05 -173.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 30.4 tt0 -142.8 109.86 5.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.649 0.779 . . . . 75.24 109.522 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.72 109.44 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 108.699 -0.852 . . . . 73.01 108.699 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.57 108.36 19.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.718 0.807 . . . . 73.12 108.888 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.6 104.76 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 108.509 -0.923 . . . . 73.4 108.509 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -99.48 112.89 25.02 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 107.369 -1.345 . . . . 74.4 107.369 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.539 ' HB3' ' HA ' ' A' ' 39' ' ' ILE . 34.5 p -155.56 142.03 18.64 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.452 -0.573 . . . . 75.33 109.452 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.61 -96.4 0.43 Allowed Glycine 0 C--N 1.352 1.456 0 O-C-N 124.157 0.911 . . . . 72.1 112.401 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.81 12.01 2.39 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.713 -0.555 . . . . 63.24 111.713 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -121.09 160.17 24.21 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.942 0.897 . . . . 73.03 110.874 -176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 80.4 m -132.68 114.57 14.34 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.053 0.941 . . . . 73.44 109.087 172.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 -87.95 113.2 23.37 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.268 -1.012 . . . . 74.43 108.268 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.0 m -102.71 103.81 14.08 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.236 -0.653 . . . . 71.04 109.236 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 82' ' ' GLU . 72.5 m-85 -89.55 107.0 18.83 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 107.517 -1.29 . . . . 71.42 107.517 173.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 N--CA 1.479 0.987 0 C-N-CA 123.944 0.898 . . . . 71.43 110.043 -173.318 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.862 0.363 . . . . 62.4 111.423 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.63 -45.61 74.86 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.748 0.819 . . . . 73.35 110.099 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 21.2 tp10 -56.55 -36.21 69.02 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.586 0.754 . . . . 75.14 110.664 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -61.16 -41.35 96.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.179 0.592 . . . . 70.01 110.751 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.3 -31.64 64.15 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.889 -0.596 . . . . 71.53 110.235 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.556 ' HG3' HD13 ' A' ' 62' ' ' LEU . 27.2 ttt180 -57.49 -46.81 83.31 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.595 0.559 . . . . 72.32 110.389 173.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.3 mm-40 -57.73 -30.87 65.9 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.751 0.657 . . . . 71.01 111.314 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 31' ' ' GLU . 53.1 tp -77.4 -40.59 43.14 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.884 -0.598 . . . . 74.12 110.902 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.465 ' HB2' HD11 ' A' ' 62' ' ' LEU . 18.4 m-85 -67.3 -25.85 66.24 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.245 0.218 . . . . 75.11 110.754 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 33' ' ' HIS . 49.2 mt-10 -80.9 -37.34 29.84 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.976 0.91 . . . . 74.2 110.242 175.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 18.2 tp10 -54.61 -34.36 61.93 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.414 1.086 . . . . 64.33 110.611 170.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 mt -89.88 -32.05 17.05 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.63 0.772 . . . . 74.51 111.418 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.439 ' HB3' ' HA ' ' A' ' 30' ' ' GLU . 10.4 t-160 -61.38 -29.14 69.73 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.066 0.946 . . . . 74.12 111.754 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 13.1 pt-20 -65.46 -22.16 66.72 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.188 0.44 . . . . 73.23 112.188 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -19.86 13.53 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 110.12 -0.326 . . . . 75.31 110.12 170.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.18 29.42 75.29 Favored Glycine 0 C--N 1.345 1.066 0 O-C-N 123.549 0.53 . . . . 45.2 113.842 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 t -83.04 172.54 12.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.023 0.529 . . . . 62.51 110.153 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 11.7 pt-20 -66.52 117.58 8.92 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 121.89 0.853 . . . . 73.32 110.987 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.463 HD12 HD13 ' A' ' 57' ' ' ILE . 31.7 mt -101.94 108.15 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.787 1.235 . . . . 63.14 108.164 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.81 101.77 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 108.272 -1.01 . . . . 74.13 108.272 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.5 138.77 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 108.413 -0.958 . . . . 70.12 108.413 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 41.6 tt0 -136.09 132.74 36.52 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.941 -0.392 . . . . 74.23 109.941 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.588 HG11 ' HG3' ' A' ' 72' ' ' LYS . 64.9 t -87.02 137.19 21.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.198 0.999 . . . . 73.24 108.37 175.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -132.07 102.75 5.94 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.428 1.091 . . . . 73.02 109.071 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' A' ' 81' ' ' VAL . 55.4 mt -133.81 100.47 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.724 0.81 . . . . 72.41 108.921 174.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.427 HD21 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER 72.05 -71.43 0.13 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.514 1.525 . . . . 74.45 111.175 174.128 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.46 -18.12 0.57 Allowed Glycine 0 N--CA 1.47 0.919 0 CA-C-N 115.363 -0.835 . . . . 64.14 111.394 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -77.89 108.83 11.41 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 123.303 0.641 . . . . 71.35 109.493 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 13.3 ptm180 -120.77 115.06 22.57 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.122 -0.944 . . . . 74.14 109.426 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 23.7 t70 -116.19 110.96 19.51 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.07 -0.968 . . . . 74.42 109.395 -175.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -92.42 132.27 36.9 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.1 -0.704 . . . . 74.34 109.1 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -136.84 133.8 48.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 107.637 -1.246 . . . . 75.34 107.637 -174.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -127.71 110.86 13.06 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 118.381 0.537 . . . . 75.45 109.871 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.449 HG22 HD21 ' A' ' 65' ' ' LEU . 30.2 m -123.49 149.9 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.562 1.145 . . . . 74.23 108.596 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 33.4 mtp85 -126.43 -83.12 0.62 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 119.229 0.922 . . . . 75.42 110.985 -175.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.93 94.88 9.16 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 107.839 -1.171 . . . . 73.32 107.839 177.698 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -137.15 127.51 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 114.989 -1.005 . . . . 72.44 109.901 -174.614 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -73.43 177.09 5.49 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.483 0.713 . . . . 72.14 110.795 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.74 -33.37 68.39 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.237 1.199 . . . . 74.21 114.237 -168.628 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -89.41 -28.15 19.94 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 118.098 0.408 . . . . 75.03 111.371 177.553 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -67.91 -37.89 82.25 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.845 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' A' ' 57' ' ' ILE . 4.5 pp -73.85 -20.8 60.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.85 0.357 . . . . 74.31 110.627 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.653 ' HZ3' ' HB3' ' A' ' 63' ' ' LYS . 9.6 mtpm? -64.76 -17.66 64.37 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-O 118.318 -0.848 . . . . 75.35 111.59 171.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.79 -26.66 68.23 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 118.951 0.796 . . . . 75.44 110.716 174.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.449 HD21 HG22 ' A' ' 54' ' ' VAL . 2.0 mm? -64.78 -47.05 79.55 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.375 -0.972 . . . . 74.02 108.375 172.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 HD13 ' HG2' ' A' ' 63' ' ' LYS . 58.2 mt -66.83 -28.26 68.22 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.54 -1.209 . . . . 72.3 111.035 178.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 27.7 mm-40 -74.37 -25.35 59.45 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 123.575 0.547 . . . . 75.34 110.376 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 65.0 mtt180 -77.91 -54.33 6.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.217 0.207 . . . . 74.34 110.609 170.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.404 HG12 HG21 ' A' ' 43' ' ' VAL . 83.2 mt -55.57 -43.72 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.038 0.935 . . . . 75.31 110.254 -176.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 ptm85 -57.09 -41.84 79.64 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.754 0.659 . . . . 72.12 111.51 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 41.0 mt-10 -59.15 -40.7 86.34 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.027 0.83 . . . . 73.41 110.445 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.588 ' HG3' HG11 ' A' ' 43' ' ' VAL . 67.2 mmtt -72.02 -48.54 43.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.891 -1.05 . . . . 75.1 108.55 -172.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.4 pt -72.49 -28.49 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 116.209 -0.45 . . . . 71.32 111.672 -175.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -85.45 -28.46 25.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.31 0.244 . . . . 71.04 111.214 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -85.98 -36.19 19.96 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.356 -0.215 . . . . 74.22 110.739 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -83.6 -53.28 5.78 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.201 0.6 . . . . 71.22 109.524 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.31 29.1 73.48 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 115.19 -0.914 . . . . 61.11 112.392 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -78.32 157.54 29.13 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.61 0.764 . . . . 74.1 111.025 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.4 p -69.19 -38.36 78.62 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.315 -0.857 . . . . 74.42 110.201 172.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.32 98.54 9.5 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 120.969 0.414 . . . . 75.53 109.907 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' A' ' 45' ' ' ILE . 27.2 m -125.52 122.06 61.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 107.723 -1.214 . . . . 72.44 107.723 169.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -138.01 136.29 36.76 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 120.793 0.33 . . . . 74.0 111.173 -175.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.6 t -122.28 118.28 54.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.834 0.853 . . . . 65.44 109.523 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -107.72 110.36 22.18 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.786 0.835 . . . . 75.11 109.981 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.26 134.07 48.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 109.299 -0.63 . . . . 64.23 109.299 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -133.68 112.5 11.47 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.002 -1.111 . . . . 73.54 108.002 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -159.21 126.03 4.64 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 123.046 0.216 . . . . 65.12 110.858 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.43 31.45 76.84 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 124.042 0.839 . . . . 54.31 114.058 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.5 9.46 86.44 Favored Glycine 0 C--N 1.348 1.216 0 C-N-CA 123.136 0.398 . . . . 75.31 113.677 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -113.2 146.13 39.8 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.985 0.914 . . . . 74.33 110.196 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.1 m -131.85 132.78 43.98 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.827 0.851 . . . . 71.44 110.356 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.5 m-90 -127.64 151.69 48.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.076 0.95 . . . . 75.41 109.999 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.425 HG22 HD21 ' A' ' 95' ' ' ASN . 87.9 m -134.14 104.5 6.23 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.542 0.737 . . . . 72.45 109.508 175.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -100.29 108.9 21.07 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.335 0.654 . . . . 70.02 109.693 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.425 HD21 HG22 ' A' ' 93' ' ' THR . 6.7 p30 . . . . . 0 N--CA 1.473 0.725 0 C-N-CA 124.092 0.957 . . . . 73.33 108.548 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.666 ' HB2' HH11 ' A' ' 24' ' ' ARG . 4.5 pp . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 111.676 0.25 . . . . 73.54 111.676 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.555 ' HB3' HD23 ' A' ' 66' ' ' LEU . 91.9 mt -65.77 -27.84 68.58 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.5 -0.773 . . . . 71.44 111.283 173.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 5.7 tp10 -57.81 -41.47 82.25 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.517 0.727 . . . . 63.51 111.197 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.666 HH11 ' HB2' ' A' ' 21' ' ' LEU . 41.5 mtp180 -53.97 -29.98 45.14 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.523 1.129 . . . . 74.33 111.631 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.3 mt -87.28 -43.23 12.33 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.777 0.831 . . . . 75.53 110.505 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.629 ' HB2' HD22 ' A' ' 66' ' ' LEU . 29.7 ttp180 -60.03 -46.71 88.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.047 0.939 . . . . 71.42 111.532 -172.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 24.9 mm-40 -52.52 -46.25 66.61 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 124.875 1.359 . . . . 74.03 110.312 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.89 -47.62 79.88 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.364 -0.834 . . . . 75.54 111.604 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -60.49 -31.77 70.79 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.505 0.503 . . . . 73.43 111.827 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.01 -35.88 64.42 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.516 0.726 . . . . 73.45 110.767 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 25.8 mm-40 -72.17 -19.14 61.8 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.055 0.542 . . . . 63.54 111.342 176.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 86.5 mt -90.31 -30.42 17.48 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.409 0.623 . . . . 72.41 110.428 171.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.28 -38.46 89.42 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 115.745 -0.661 . . . . 74.31 111.066 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.9 -14.76 63.22 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.893 0.701 . . . . 73.41 112.893 -176.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 3.6 ptm85 -107.87 -18.19 13.87 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 122.352 0.261 . . . . 73.42 110.356 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.41 49.45 56.54 Favored Glycine 0 C--N 1.353 1.474 0 O-C-N 123.631 0.582 . . . . 54.54 112.013 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 87' ' ' SER . 11.5 t -90.66 167.65 12.36 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.45 0.7 . . . . 72.15 111.062 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 11.0 pt-20 -79.67 117.18 20.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.256 -0.884 . . . . 72.32 109.208 171.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.656 HD12 HD13 ' A' ' 57' ' ' ILE . 53.0 mt -104.12 132.88 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.781 0.832 . . . . 72.5 108.831 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.528 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 60.2 t -120.11 108.36 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 108.096 -1.076 . . . . 72.32 108.096 174.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.9 t -93.02 121.59 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.742 -0.836 . . . . 74.33 108.742 -176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 35.6 tt0 -122.35 105.56 10.3 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.171 -0.677 . . . . 64.34 109.171 -175.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -98.46 125.77 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.26 0.624 . . . . 64.14 109.517 -175.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 48.4 m-70 -115.8 115.61 26.59 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.089 0.956 . . . . 74.15 108.579 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 80' ' ' GLU . 53.0 mt -134.98 114.96 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 C-N-CA 122.91 0.484 . . . . 73.52 109.782 177.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 67.79 -63.05 0.32 Allowed 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.052 1.741 . . . . 74.01 111.534 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.65 24.63 0.1 Allowed Glycine 0 C--N 1.342 0.915 0 CA-C-N 116.262 -0.426 . . . . 52.43 112.529 174.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 8.2 mm-40 -101.13 142.55 32.42 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.786 0.834 . . . . 75.32 109.414 171.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -126.7 111.73 14.62 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-O 121.912 0.863 . . . . 75.13 109.094 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 29.9 m-20 -98.53 137.71 36.79 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.108 -1.071 . . . . 73.45 108.108 174.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -132.87 107.53 8.38 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.69 -0.485 . . . . 65.54 109.69 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.484 HG23 HG11 ' A' ' 54' ' ' VAL . 26.5 mt -114.5 107.73 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 107.965 -1.124 . . . . 75.22 107.965 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.49 104.3 16.34 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 107.989 -1.115 . . . . 73.4 107.989 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.484 HG11 HG23 ' A' ' 52' ' ' ILE . 3.1 m -112.4 105.18 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 124.33 1.052 . . . . 71.02 109.302 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 24.7 mtp-105 -103.14 126.29 50.25 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.989 -0.745 . . . . 74.35 108.989 -174.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER 59.23 32.76 22.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.647 0.779 . . . . 74.04 111.214 174.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.656 HD13 HD12 ' A' ' 39' ' ' ILE . 1.5 pp -67.83 155.7 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 116.012 -0.54 . . . . 72.43 111.636 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 m -87.32 -178.17 6.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.196 -0.911 . . . . 65.53 111.578 -170.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 38.9 ttpt -68.49 -51.59 41.6 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.589 0.755 . . . . 74.44 112.135 -170.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -27.63 55.73 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.169 0.588 . . . . 74.43 110.711 175.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 36.4 tt0 -70.52 -32.32 69.74 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.15 -0.932 . . . . 72.14 112.296 -177.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.599 ' HB3' HD11 ' A' ' 57' ' ' ILE . 4.6 pp -68.93 -26.5 65.1 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.063 0.459 . . . . 74.12 110.514 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 66' ' ' LEU . 88.3 mttt -69.4 -20.62 63.81 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.551 -0.749 . . . . 71.24 110.737 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' HA ' ' HG2' ' A' ' 67' ' ' GLU . 13.1 mmmm -70.06 -22.65 63.04 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 109.941 -0.392 . . . . 74.34 109.941 176.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.02 -45.08 78.6 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 109.471 -0.566 . . . . 75.25 109.471 173.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.629 HD22 ' HB2' ' A' ' 26' ' ' ARG . 9.5 mp -58.76 -42.21 88.39 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.255 0.972 . . . . 70.35 111.375 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.587 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 11.0 pt-20 -68.84 -37.88 79.44 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 123.498 0.499 . . . . 74.41 110.744 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -58.78 -45.88 88.8 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 117.832 0.287 . . . . 72.04 111.2 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 65' ' ' LEU . 70.5 mt -65.43 -48.51 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.862 0.865 . . . . 74.11 110.372 -178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.587 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 14.4 ptm180 -64.69 -32.76 74.57 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.956 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 40.2 mt-10 -56.96 -43.87 82.03 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 109.117 -0.697 . . . . 74.53 109.117 173.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -68.38 -43.38 77.47 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.682 0.614 . . . . 73.33 110.91 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 70' ' ' ARG . 1.3 pp -66.09 -28.93 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 CA-C-O 121.044 0.45 . . . . 73.41 110.302 -177.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -86.61 -27.08 24.08 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.337 1.055 . . . . 70.43 112.932 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 71' ' ' GLU . 94.1 mtt180 -75.9 -46.09 31.91 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.395 0.617 . . . . 75.44 109.652 175.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -74.25 -29.5 61.72 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 114.767 -1.106 . . . . 74.5 111.366 -174.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.03 -58.02 4.98 Favored Glycine 0 C--O 1.218 -0.878 0 CA-C-N 115.88 -0.6 . . . . 62.32 111.963 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -51.62 140.21 19.0 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.528 1.131 . . . . 74.12 113.088 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.2 t -78.6 0.18 27.36 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.576 0.75 . . . . 72.54 110.397 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 45' ' ' ILE . 9.8 tp10 -63.93 86.82 0.04 OUTLIER 'General case' 0 C--N 1.357 0.908 0 C-N-CA 124.67 1.188 . . . . 74.51 110.51 173.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.4 t -133.34 142.05 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 124.245 1.018 . . . . 75.25 109.487 -175.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 31.9 tt0 -142.77 105.8 4.55 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.278 1.031 . . . . 71.12 108.559 175.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.7 t -100.17 111.2 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.262 -0.644 . . . . 63.54 109.262 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 20.1 m-80 -101.57 105.13 16.05 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.004 -1.109 . . . . 74.34 108.004 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.12 117.9 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.781 -0.822 . . . . 73.15 108.781 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.528 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 76.9 m-70 -102.71 148.16 25.94 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.881 0.872 . . . . 73.04 108.727 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.424 ' HB2' HG21 ' A' ' 37' ' ' THR . 67.0 p -158.58 106.55 1.9 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.708 0.403 . . . . 75.3 110.278 175.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.05 -75.22 0.78 Allowed Glycine 0 CA--C 1.534 1.239 0 O-C-N 123.395 0.435 . . . . 65.02 112.129 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -152.96 28.65 0.81 Allowed Glycine 0 C--N 1.341 0.828 0 C-N-CA 123.477 0.56 . . . . 73.0 111.702 171.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 22.4 mt-30 -115.4 122.15 44.94 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.016 0.926 . . . . 73.31 109.912 -176.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.3 m -119.59 117.55 28.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.864 0.866 . . . . 75.51 109.701 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -108.48 115.2 29.65 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.331 0.652 . . . . 73.42 109.395 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 75.4 m -94.95 104.55 16.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.511 0.724 . . . . 73.2 109.483 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -91.23 113.28 25.5 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.003 0.921 . . . . 75.41 108.755 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--O 1.239 0.544 0 N-CA-C 106.81 -1.552 . . . . 74.12 106.81 174.126 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt . . . . . 0 N--CA 1.486 1.333 0 N-CA-C 109.656 -0.498 . . . . 72.54 109.656 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.618 ' HB3' HD11 ' A' ' 66' ' ' LEU . 75.0 mt -60.8 -32.75 72.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.202 1.001 . . . . 75.55 112.181 -174.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.4 tp10 -68.0 -32.11 72.26 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.871 0.868 . . . . 75.31 109.865 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -68.14 -27.67 66.64 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.713 -0.676 . . . . 74.51 110.153 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.81 -38.13 33.63 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 115.498 -0.773 . . . . 75.4 109.158 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -62.07 -51.29 68.55 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.942 0.897 . . . . 75.15 109.946 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 35.5 mm-40 -57.8 -45.93 85.37 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 124.182 0.926 . . . . 75.31 110.891 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.4 -49.77 74.18 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 124.076 0.86 . . . . 64.21 111.469 -176.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.538 ' HB2' HD13 ' A' ' 62' ' ' LEU . 21.5 m-30 -66.86 -41.72 86.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.771 0.428 . . . . 71.22 110.787 -175.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.39 -30.49 71.31 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.384 0.673 . . . . 62.45 111.146 177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -74.6 -36.34 62.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.347 1.059 . . . . 65.44 110.941 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.93 -21.16 37.44 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.43 0.692 . . . . 75.24 110.772 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -63.73 -25.99 68.45 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.143 0.977 . . . . 75.33 111.545 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -27.52 69.25 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.009 0.524 . . . . 71.42 111.176 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -19.83 13.53 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.164 0.186 . . . . 73.3 110.509 173.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.04 49.68 75.86 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 123.74 0.65 . . . . 71.52 112.212 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 t -74.98 168.85 19.15 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.139 0.976 . . . . 75.01 111.655 -176.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 87' ' ' SER . 6.6 pt-20 -65.15 86.56 0.06 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 124.401 1.08 . . . . 74.13 111.411 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.509 ' HA ' ' HG ' ' A' ' 87' ' ' SER . 62.5 mt -93.95 109.64 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.716 0.807 . . . . 74.41 109.053 -178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 59.9 t -107.12 104.73 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.866 -1.161 . . . . 72.32 107.866 177.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.56 110.07 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 108.203 -1.036 . . . . 74.03 108.203 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 84.4 tt0 -120.17 107.84 13.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.195 0.598 . . . . 72.0 109.73 -176.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 34.8 t -88.5 137.7 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.278 1.031 . . . . 73.23 108.751 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 58.0 m170 -124.65 108.44 12.04 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.713 0.805 . . . . 75.31 108.897 178.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.82 110.59 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.152 0.981 . . . . 64.14 109.618 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 52.83 34.0 15.49 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 125.373 1.469 . . . . 65.11 112.948 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.99 -21.01 48.28 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 115.796 -0.638 . . . . 72.55 113.455 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.14 117.13 19.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 117.227 0.513 . . . . 72.14 109.779 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.52 134.48 42.33 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.047 0.451 . . . . 75.5 110.005 174.634 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 28.9 t70 -115.65 110.57 19.36 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 107.443 -1.317 . . . . 72.35 107.443 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -117.31 112.46 20.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.189 0.595 . . . . 74.2 110.165 -169.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.2 mt -119.24 107.63 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 108.236 -1.024 . . . . 75.4 108.236 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.41 ' HG2' HG13 ' A' ' 40' ' ' VAL . 74.3 mtt180 -95.99 106.59 18.77 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.59 0.756 . . . . 73.02 109.236 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.65 152.98 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.751 1.22 . . . . 75.22 108.945 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -117.98 -80.25 0.61 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.513 -0.551 . . . . 74.23 109.513 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -104.59 57.82 0.7 Allowed 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.969 0.89 . . . . 63.21 109.088 -170.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.2 pp -70.43 -178.16 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 CA-C-N 114.123 -1.398 . . . . 74.33 110.904 173.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 m -102.88 168.2 9.37 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.694 0.798 . . . . 74.54 110.252 -177.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.491 ' HD3' ' H ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -75.23 -33.61 61.37 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.83 1.048 . . . . 73.23 113.83 -167.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.27 -28.53 21.03 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.223 0.535 . . . . 75.01 110.259 171.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -68.55 -30.37 69.15 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.232 -0.895 . . . . 73.32 112.225 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 29' ' ' PHE . 3.8 pp -71.83 -20.43 61.83 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.097 0.475 . . . . 75.54 110.966 175.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 95.0 mttt -72.61 -17.29 61.7 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.022 0.529 . . . . 74.12 110.608 174.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 13.0 mmmm -67.47 -32.81 73.9 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.024 -0.535 . . . . 72.11 110.141 168.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.89 -38.41 85.57 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.052 0.541 . . . . 73.4 111.002 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' ' 22' ' ' LEU . 4.2 pp -83.59 -30.25 27.13 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.803 0.441 . . . . 73.03 111.709 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.577 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -74.52 -19.96 60.16 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.961 -0.462 . . . . 73.43 110.237 175.608 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.477 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 4.7 mtp180 -70.93 -17.33 62.69 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.696 0.798 . . . . 74.1 111.442 169.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 83' ' ' VAL . 52.8 mt -83.41 -47.46 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.306 0.643 . . . . 74.01 109.791 172.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 13.0 ptm180 -64.36 -37.05 86.12 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 116.105 -0.498 . . . . 73.53 111.503 -173.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.11 -32.42 70.97 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.551 0.532 . . . . 72.13 109.97 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 40.6 mmtm -74.86 -46.6 35.28 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 123.756 0.66 . . . . 64.23 110.457 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.53 -27.21 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 111.443 0.164 . . . . 75.22 111.443 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -82.34 -43.79 16.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.562 0.745 . . . . 75.01 111.401 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -64.36 -34.0 77.14 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 110.036 -0.357 . . . . 75.04 110.036 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -79.51 -56.66 4.15 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.62 -0.718 . . . . 73.24 110.452 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.16 -4.84 71.25 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.085 -0.961 . . . . 62.42 112.838 -172.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.9 m -87.03 151.11 23.55 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 123.655 0.782 . . . . 65.32 111.229 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -89.4 -11.46 43.12 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.901 -1.045 . . . . 72.31 110.403 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -71.24 93.84 1.13 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 109.561 -0.533 . . . . 70.44 109.561 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.0 p -134.67 133.51 54.39 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 C-N-CA 124.05 0.94 . . . . 75.24 109.257 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.542 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 39.5 tt0 -136.24 107.28 6.72 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.783 0.833 . . . . 73.05 108.774 176.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.439 HG23 HD11 ' A' ' 69' ' ' ILE . 25.5 t -98.83 110.97 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 108.544 -0.91 . . . . 72.02 108.544 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.489 ' ND2' HG23 ' A' ' 93' ' ' THR . 11.0 m120 -101.17 107.35 18.73 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.11 -1.07 . . . . 71.42 108.11 177.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 91' ' ' THR . 57.8 t -95.38 106.7 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 108.042 -1.096 . . . . 74.01 108.042 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.458 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 22.0 m-70 -97.07 111.81 23.87 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 107.15 -1.426 . . . . 64.1 107.15 -177.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.509 ' HG ' ' HA ' ' A' ' 39' ' ' ILE . 18.6 m -140.5 106.87 5.27 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.297 0.499 . . . . 71.24 111.178 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.75 33.07 86.26 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 124.368 1.043 . . . . 62.14 113.934 174.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.86 -13.72 57.6 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-O 119.596 -0.558 . . . . 61.31 113.489 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -92.24 156.95 16.95 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.217 0.607 . . . . 74.5 110.259 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 97.2 m -142.44 114.41 8.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.413 0.685 . . . . 74.15 109.872 171.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -91.81 126.73 37.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.678 0.791 . . . . 74.41 109.324 173.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.489 HG23 ' ND2' ' A' ' 84' ' ' ASN . 71.2 p -102.99 107.27 18.01 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.367 0.667 . . . . 73.4 110.281 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -99.87 108.89 21.27 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.552 0.741 . . . . 74.3 109.934 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 123.784 0.833 . . . . 71.41 109.391 173.633 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.1 tp . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 109.531 -0.544 . . . . 73.45 109.531 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.79 -40.72 93.65 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 124.127 0.892 . . . . 73.14 111.082 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 36.5 tt0 -59.18 -43.55 92.17 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.53 0.519 . . . . 75.44 110.662 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -67.59 -28.49 67.81 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.437 0.695 . . . . 74.22 111.744 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.8 mt -77.97 -34.0 51.2 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.79 -0.819 . . . . 75.11 108.79 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.452 ' HB2' HD13 ' A' ' 66' ' ' LEU . 38.9 ttp180 -65.31 -44.8 86.71 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.987 -1.006 . . . . 74.43 109.355 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 30.4 mm-40 -53.54 -40.99 65.95 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.344 1.028 . . . . 75.03 110.806 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.94 -52.18 64.04 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 114.997 -1.001 . . . . 73.02 110.534 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -65.33 -34.38 78.19 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.994 0.517 . . . . 74.52 111.872 -176.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.94 -34.82 71.85 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.77 0.828 . . . . 74.21 110.32 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.86 -48.27 72.15 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.023 -0.732 . . . . 72.53 109.023 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.23 -25.71 68.18 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.358 1.063 . . . . 73.15 111.831 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -55.52 -26.2 41.59 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.334 1.054 . . . . 74.04 112.664 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.81 -31.61 68.6 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.38 0.672 . . . . 75.52 111.308 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.33 -31.5 8.16 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.93 0.492 . . . . 75.4 110.159 176.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.11 42.12 99.69 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.864 0.727 . . . . 72.34 113.136 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 t -78.37 177.01 8.81 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.293 0.637 . . . . 75.51 110.987 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.22 93.2 0.06 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.36 1.064 . . . . 74.23 112.059 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' HB ' HG23 ' A' ' 54' ' ' VAL . 47.9 mt -94.47 109.76 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 108.571 -0.9 . . . . 73.11 108.571 177.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 53' ' ' ARG . 46.8 t -112.0 103.21 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 108.572 -0.899 . . . . 73.33 108.572 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -94.13 119.6 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 109.16 -0.682 . . . . 74.42 109.16 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.575 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 35.4 mt-10 -112.71 107.41 16.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.673 0.789 . . . . 70.12 110.594 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 21.5 t -93.7 98.45 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 107.852 -1.166 . . . . 73.24 107.852 175.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -89.77 106.58 18.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.012 -0.995 . . . . 71.41 109.331 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.434 HG12 ' HA ' ' A' ' 81' ' ' VAL . 38.4 mt -134.57 124.93 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.823 0.849 . . . . 75.42 109.745 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 57.63 35.59 25.84 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.805 1.242 . . . . 73.43 112.653 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.93 -21.75 35.06 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 115.66 -0.7 . . . . 74.33 113.257 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -82.91 140.96 32.54 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.84 0.856 . . . . 72.14 110.753 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -115.95 124.55 50.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.809 0.843 . . . . 74.31 110.141 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.575 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 27.6 t0 -100.65 111.27 23.48 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 108.235 -1.024 . . . . 74.13 108.235 172.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -105.34 110.82 23.31 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.711 -0.848 . . . . 74.11 108.711 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -114.67 130.09 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 106.83 -1.544 . . . . 74.43 106.83 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.453 ' HG2' HG12 ' A' ' 40' ' ' VAL . 45.9 mtp180 -122.5 114.68 21.01 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.997 -0.742 . . . . 74.22 108.997 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.515 HG22 HD13 ' A' ' 65' ' ' LEU . 27.1 m -127.57 152.34 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.796 1.238 . . . . 74.21 108.799 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -123.97 -89.15 0.59 Allowed 'General case' 0 N--CA 1.484 1.274 0 O-C-N 122.152 -0.342 . . . . 73.01 110.841 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.404 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.9 OUTLIER -92.99 37.73 1.03 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.649 0.78 . . . . 74.32 110.067 -170.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pp -63.32 142.53 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.395 1.078 . . . . 75.43 112.941 -174.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 m -78.63 175.03 10.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.605 0.762 . . . . 72.52 109.944 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 58.0 pttt -57.77 -39.62 77.87 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.453 0.701 . . . . 74.21 110.821 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.41 -33.47 73.05 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.157 0.983 . . . . 73.11 111.296 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.1 -31.76 27.11 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.021 0.528 . . . . 64.21 111.334 -174.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' A' ' 57' ' ' ILE . 4.6 pp -76.92 -20.92 55.62 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.906 -0.496 . . . . 72.25 110.125 174.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 57.0 mtpt -64.54 -21.92 66.82 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 119.329 -0.367 . . . . 74.23 110.977 167.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 32.7 mmmt -67.92 -25.26 65.39 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 110.332 -0.247 . . . . 74.42 110.332 175.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.515 HD13 HG22 ' A' ' 54' ' ' VAL . 92.7 mt -69.22 -40.21 78.11 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.401 -0.592 . . . . 75.15 109.401 174.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 26' ' ' ARG . 38.0 mt -65.49 -33.53 76.15 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.24 -0.891 . . . . 71.52 110.543 178.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 32.2 mm-40 -61.38 -56.24 22.53 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 115.779 -0.646 . . . . 72.1 109.612 173.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 21.0 mmt180 -58.0 -43.4 86.61 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.252 -0.431 . . . . 72.34 111.89 -172.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.37 -47.15 93.23 Favored 'Isoleucine or valine' 0 C--O 1.25 1.109 0 O-C-N 123.808 0.693 . . . . 73.5 110.349 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 7.1 ptp85 -61.11 -39.79 91.32 Favored 'General case' 0 C--N 1.371 1.531 0 O-C-N 123.353 0.408 . . . . 61.21 110.082 -178.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 45.3 mt-10 -62.04 -31.24 71.63 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.193 0.933 . . . . 63.3 111.198 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 36.1 mmtm -78.34 -50.63 11.42 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 109.96 -0.385 . . . . 74.0 109.96 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.9 -28.47 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 O-C-N 123.318 0.386 . . . . 74.3 111.819 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 23.0 pt-20 -86.6 -36.63 18.74 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.114 0.566 . . . . 73.03 111.679 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -72.72 -23.32 60.84 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.02 0.373 . . . . 73.51 110.749 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -96.12 -34.65 11.62 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.075 -0.511 . . . . 75.33 110.875 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.31 20.07 58.16 Favored Glycine 0 C--N 1.349 1.26 0 O-C-N 123.497 0.498 . . . . 74.34 112.911 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -106.56 142.44 36.2 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.07 0.948 . . . . 74.12 110.057 -171.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 m -74.47 -10.04 59.18 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.678 0.791 . . . . 62.32 111.428 175.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -71.38 92.25 1.06 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.314 1.046 . . . . 74.21 109.048 178.482 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.434 ' HA ' HG12 ' A' ' 45' ' ' ILE . 6.0 p -142.6 136.22 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.734 0.413 . . . . 75.52 111.512 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HG2' ' ND2' ' A' ' 84' ' ' ASN . 22.7 tt0 -141.8 105.81 4.76 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.223 -1.028 . . . . 74.11 108.223 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.47 109.83 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.922 -0.769 . . . . 74.13 108.922 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.411 ' ND2' ' HG2' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -100.51 104.77 16.16 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.814 -1.18 . . . . 70.54 107.814 177.377 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 91' ' ' THR . 91.2 t -93.31 113.7 28.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 108.312 -0.995 . . . . 75.31 108.312 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.446 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 38.6 m-70 -94.86 148.37 22.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.668 -1.234 . . . . 72.34 107.668 174.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.416 ' HG ' HG12 ' A' ' 39' ' ' ILE . 28.3 t -161.3 101.84 1.23 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.227 -0.657 . . . . 63.33 109.227 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.26 38.9 57.73 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 124.222 0.951 . . . . 71.55 115.095 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.37 -29.72 10.63 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.841 0.32 . . . . 74.2 113.284 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -79.69 147.11 32.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.544 0.738 . . . . 74.34 110.309 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 68.3 m -143.74 115.87 8.41 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.295 0.638 . . . . 74.21 110.508 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.8 m-90 -98.06 115.05 27.45 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.492 -0.929 . . . . 63.31 108.492 172.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.3 p -92.75 103.97 16.28 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.235 0.541 . . . . 72.43 109.837 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -89.59 120.72 31.13 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.071 -1.085 . . . . 74.13 108.071 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 123.878 0.871 . . . . 72.42 110.203 -175.43 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.266 -0.272 . . . . 73.54 110.266 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HA ' HD21 ' A' ' 25' ' ' LEU . 82.1 mt -69.52 -25.54 64.09 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 123.631 0.582 . . . . 71.04 112.126 -178.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -61.76 -36.63 81.58 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 110.305 -0.257 . . . . 74.32 110.305 175.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -62.94 -30.87 71.89 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.572 0.545 . . . . 74.52 109.744 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 22' ' ' LEU . 3.3 mm? -77.51 -43.18 32.97 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 115.655 -0.702 . . . . 62.25 110.127 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HB2' HD22 ' A' ' 66' ' ' LEU . 41.5 ttm180 -58.04 -51.75 68.39 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.268 0.627 . . . . 73.54 110.971 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 30.9 mm-40 -60.01 -39.92 87.49 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.338 1.024 . . . . 72.11 110.711 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.7 tp -66.95 -42.95 84.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.204 0.602 . . . . 74.33 110.748 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -68.29 -24.24 64.84 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.866 0.466 . . . . 74.33 110.886 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.82 -32.02 52.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.481 0.712 . . . . 71.4 110.979 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 16.7 mm-40 -62.41 -34.6 77.06 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.497 0.665 . . . . 72.02 109.574 170.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 mt -87.51 -24.21 24.16 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 115.424 -0.807 . . . . 70.4 111.779 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -64.32 -32.22 73.73 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.904 0.881 . . . . 65.22 111.84 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.04 -28.75 70.31 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.044 0.538 . . . . 73.3 111.358 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -112.26 -10.16 13.84 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.213 0.605 . . . . 70.25 110.763 -175.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.08 28.18 72.47 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 123.859 0.725 . . . . 74.43 114.492 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -71.31 162.29 29.68 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.284 0.564 . . . . 74.14 111.687 -172.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.547 ' HB3' ' HE ' ' A' ' 55' ' ' ARG . 7.5 pt-20 -73.63 98.93 2.96 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.193 0.997 . . . . 72.23 111.266 -176.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.9 mt -92.59 115.4 31.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.835 -0.802 . . . . 75.41 108.835 -176.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.576 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 45.2 t -108.03 102.83 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 107.979 -1.119 . . . . 71.01 107.979 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.4 t -93.78 124.78 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.719 -0.845 . . . . 75.31 108.719 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.591 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 43.1 tt0 -124.04 107.55 11.41 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.874 0.87 . . . . 74.22 109.086 -173.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 46.8 t -89.55 124.1 42.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.003 0.921 . . . . 75.15 109.276 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 37.9 m-70 -114.73 99.4 7.48 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.257 1.023 . . . . 73.12 108.792 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.476 HG21 ' ND2' ' A' ' 46' ' ' ASN . 25.8 mt -128.34 123.01 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 N-CA-C 109.424 -0.584 . . . . 72.52 109.424 176.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' HG21 ' A' ' 45' ' ' ILE . 55.5 m-80 63.61 18.44 11.1 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.007 1.323 . . . . 73.42 112.449 -176.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.19 -5.71 71.75 Favored Glycine 0 C--N 1.351 1.361 0 CA-C-O 120.117 -0.268 . . . . 65.34 113.075 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -85.99 124.34 32.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.259 0.624 . . . . 75.24 110.055 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -91.74 153.54 19.56 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.623 0.769 . . . . 75.34 110.039 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.591 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 37.9 t70 -144.57 111.82 5.99 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.755 0.422 . . . . 72.0 110.234 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.74 123.27 42.86 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.568 0.747 . . . . 74.23 110.38 -174.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 mt -128.33 108.22 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.225 -1.028 . . . . 74.31 108.225 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.493 ' HG2' HG21 ' A' ' 40' ' ' VAL . 23.5 mtm180 -98.63 123.6 42.92 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.795 0.438 . . . . 71.5 110.843 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.401 HG23 HD21 ' A' ' 65' ' ' LEU . 14.7 m -135.34 135.99 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.65 1.18 . . . . 74.12 109.403 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.547 ' HE ' ' HB3' ' A' ' 38' ' ' GLU . 29.3 mtp-105 -131.35 129.46 41.41 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.484 -0.562 . . . . 74.12 109.484 -177.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.43 19.46 11.81 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.508 1.123 . . . . 72.04 112.706 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.456 HD11 ' HB3' ' A' ' 62' ' ' LEU . 2.0 pp -62.46 149.5 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 113.019 0.748 . . . . 74.24 113.019 -175.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.556 ' HB2' ' HG2' ' A' ' 61' ' ' GLU . 14.3 m -74.52 170.83 14.93 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 115.908 -0.587 . . . . 75.34 111.212 -178.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -21.73 61.18 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.08 0.467 . . . . 74.3 111.624 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -87.56 -27.38 22.6 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.254 0.622 . . . . 74.54 110.848 171.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.556 ' HG2' ' HB2' ' A' ' 58' ' ' SER . 17.0 mm-40 -77.47 -24.35 50.21 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.653 0.381 . . . . 63.23 111.882 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HA ' HD22 ' A' ' 65' ' ' LEU . 4.4 pp -69.46 -23.73 63.7 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 110.287 -0.264 . . . . 73.42 110.287 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -64.72 -20.72 66.49 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.447 0.699 . . . . 74.31 111.642 173.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -76.67 -20.13 56.99 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.443 0.697 . . . . 74.4 110.194 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.617 HD22 ' HA ' ' A' ' 62' ' ' LEU . 3.6 mm? -77.44 -41.65 38.95 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.907 -0.775 . . . . 75.54 108.907 170.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 26' ' ' ARG . 10.8 mp -54.94 -41.88 71.61 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.642 0.777 . . . . 63.43 109.91 170.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 27.9 tt0 -64.65 -50.67 66.17 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 114.319 -1.31 . . . . 73.21 109.794 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -56.43 -26.38 53.45 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.533 0.733 . . . . 73.21 112.901 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.8 mt -84.36 -44.8 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.41 0.684 . . . . 71.22 110.796 175.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HB3' HD11 ' A' ' 22' ' ' LEU . 11.1 ptt180 -62.05 -38.55 89.19 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 122.619 0.368 . . . . 74.3 110.356 -174.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 20.5 mm-40 -56.58 -36.71 69.67 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.958 0.786 . . . . 62.11 109.373 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -75.35 -51.07 14.04 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.43 -0.805 . . . . 73.13 109.68 -175.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.1 -21.69 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 117.692 0.224 . . . . 75.1 111.5 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -76.93 -46.33 24.63 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.619 0.768 . . . . 72.01 110.971 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 mtp-105 -67.24 -45.86 75.49 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.369 0.668 . . . . 75.31 111.186 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -78.4 -56.59 4.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.088 0.955 . . . . 72.34 109.087 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.1 29.78 76.24 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.184 -0.916 . . . . 72.3 112.981 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.9 t -102.85 162.8 12.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.087 0.955 . . . . 72.33 110.225 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 m -90.32 -13.61 34.83 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.343 0.657 . . . . 74.21 111.147 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 10.7 tp10 -79.61 73.09 6.31 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.29 -0.633 . . . . 63.12 109.29 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.1 t -125.79 129.72 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.703 0.801 . . . . 74.01 109.531 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.517 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 30.4 tt0 -142.49 113.56 7.62 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.2 1.0 . . . . 74.32 109.312 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.0 t -99.46 116.52 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 122.979 0.512 . . . . 71.15 110.276 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.413 ' N ' HD21 ' A' ' 84' ' ' ASN . 0.8 OUTLIER -102.36 107.74 18.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.851 0.86 . . . . 73.14 108.824 177.299 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.0 t -94.56 115.81 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.959 -0.756 . . . . 73.23 108.959 172.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.576 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 55.0 m-70 -104.08 153.53 20.79 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.808 -1.182 . . . . 75.43 107.808 173.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 61.5 p -158.22 105.23 1.9 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.928 -0.397 . . . . 75.32 109.928 174.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.87 -80.81 0.67 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 111.703 -0.559 . . . . 74.13 111.703 -175.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -140.89 6.71 2.63 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 123.588 0.613 . . . . 63.42 112.16 173.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 36.2 mt-30 -89.42 147.13 24.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.427 1.091 . . . . 54.42 109.773 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.7 m -142.27 126.0 16.99 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.62 0.645 . . . . 74.14 111.412 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -116.91 136.92 52.57 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.922 1.289 . . . . 74.35 107.911 169.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.6 p -127.49 108.75 11.08 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.669 0.387 . . . . 74.43 110.38 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -92.1 137.31 32.47 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.383 -0.969 . . . . 74.55 108.383 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 N--CA 1.478 0.968 0 C-N-CA 122.836 0.454 . . . . 72.11 109.778 177.712 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' HD21 ' A' ' 25' ' ' LEU . 2.7 pt? . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.382 0.134 . . . . 74.41 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' HB3' HD11 ' A' ' 66' ' ' LEU . 68.4 mt -78.29 -36.64 46.35 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.17 0.588 . . . . 75.42 111.495 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.64 -39.18 93.7 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.332 0.653 . . . . 72.24 111.138 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -22.41 62.38 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.763 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD21 ' O ' ' A' ' 21' ' ' LEU . 3.7 mm? -77.71 -34.72 52.61 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.433 -0.58 . . . . 64.3 109.433 172.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -61.26 -40.3 93.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.096 0.958 . . . . 73.4 110.165 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -59.95 -41.68 92.38 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.12 0.887 . . . . 74.41 111.034 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.58 -36.08 75.94 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.711 0.804 . . . . 74.43 110.61 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.554 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 23.1 m-85 -72.0 -36.29 69.7 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.767 0.427 . . . . 75.43 110.79 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -65.38 -40.82 93.99 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.673 0.789 . . . . 72.23 109.858 174.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -54.37 -52.18 62.44 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 114.752 -1.113 . . . . 74.14 110.185 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 30.0 mt -77.76 -23.83 49.14 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.317 -0.856 . . . . 74.3 111.449 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -56.16 -38.67 71.2 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.406 1.082 . . . . 73.34 112.406 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -23.79 66.14 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.798 0.666 . . . . 64.43 112.798 -174.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 4.8 ptm85 -101.71 -22.47 14.41 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 110.238 -0.282 . . . . 72.21 110.238 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.18 31.01 69.16 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.613 0.57 . . . . 73.21 113.452 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -70.63 150.26 46.2 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 109.222 -0.659 . . . . 71.44 109.222 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 10.7 pt-20 -70.66 120.18 15.9 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.475 0.655 . . . . 71.23 111.414 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.7 mt -98.54 111.26 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 114.725 -1.125 . . . . 72.05 108.626 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 79.1 t -100.76 103.27 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 108.53 -0.915 . . . . 72.31 108.53 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.1 t -94.61 110.74 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 108.627 -0.879 . . . . 74.42 108.627 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 69.7 tt0 -115.32 105.03 12.39 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.975 -0.75 . . . . 75.13 108.975 -173.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -93.63 106.34 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.305 0.642 . . . . 72.45 109.9 -175.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -86.18 121.49 28.85 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.997 0.919 . . . . 72.31 108.836 176.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.442 HG22 ' HG3' ' A' ' 76' ' ' GLU . 10.5 mt -138.51 106.21 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.255 1.022 . . . . 74.21 109.248 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 52.19 31.62 9.4 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.823 1.249 . . . . 75.44 112.891 171.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.56 -19.28 19.4 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.838 -0.619 . . . . 63.33 113.448 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -93.74 109.86 21.51 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.449 0.7 . . . . 74.01 110.148 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -89.92 122.66 33.16 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 108.514 -0.921 . . . . 73.32 108.514 173.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 9.2 t70 -108.62 109.11 20.24 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.585 -0.895 . . . . 70.14 108.585 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -100.39 111.84 24.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.055 0.542 . . . . 62.2 109.842 -170.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.3 mt -114.11 106.8 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.382 1.073 . . . . 75.41 108.296 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -107.61 118.78 37.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.218 0.607 . . . . 73.21 109.7 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG21 HD23 ' A' ' 65' ' ' LEU . 23.1 m -121.82 145.41 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 107.763 -1.199 . . . . 72.33 107.763 170.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.533 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 5.9 mtp-105 -104.26 -65.6 1.01 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.405 0.622 . . . . 75.53 109.581 177.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -122.59 110.07 15.09 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.557 -1.275 . . . . 71.2 107.557 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.508 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pp -128.63 152.28 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 124.434 1.094 . . . . 75.22 109.593 -176.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.5 m -77.53 -176.14 4.12 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.191 0.597 . . . . 72.5 110.767 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.28 -42.4 88.48 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.088 0.555 . . . . 64.12 109.915 173.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.18 -27.35 66.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.094 0.957 . . . . 73.25 110.533 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -89.72 -27.87 19.78 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 115.803 -0.635 . . . . 74.4 112.645 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.574 ' HA ' HD21 ' A' ' 65' ' ' LEU . 3.8 pp -70.06 -32.12 70.06 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.541 -0.911 . . . . 63.12 108.541 174.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 24.6 mmmt -52.58 -38.88 60.83 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 114.362 -1.29 . . . . 75.24 111.194 169.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 34.0 mmtp -59.19 -33.44 70.95 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.453 0.471 . . . . 74.4 110.857 -177.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.574 HD21 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -61.58 -48.65 80.01 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.751 0.657 . . . . 75.5 110.616 -177.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 22' ' ' LEU . 3.6 pp -80.57 -20.6 43.02 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.88 -0.6 . . . . 75.43 111.894 -178.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 5.5 mm-40 -75.27 -31.99 60.91 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.846 -0.427 . . . . 75.23 109.846 173.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 12.7 mtp180 -73.04 -36.46 66.93 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 116.309 -0.405 . . . . 72.54 110.633 173.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 66' ' ' LEU . 98.9 mt -58.36 -45.22 89.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 109.456 -0.572 . . . . 61.44 109.456 171.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -54.69 -43.97 72.96 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.698 -1.137 . . . . 73.31 110.573 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.495 ' HB3' HH21 ' A' ' 75' ' ' ARG . 48.2 mt-10 -54.68 -45.15 73.88 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.237 0.96 . . . . 65.24 110.046 177.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 66.5 mmtt -69.82 -51.27 35.05 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.619 1.2 . . . . 64.04 110.752 -170.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.678 HG23 HG23 ' A' ' 81' ' ' VAL . 2.3 pp -67.01 -30.3 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 115.519 -0.764 . . . . 73.43 111.219 -173.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -79.69 -44.19 21.3 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.977 0.511 . . . . 72.13 111.835 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.495 HH21 ' HB3' ' A' ' 71' ' ' GLU . 19.4 ptp180 -70.12 -26.57 64.02 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.422 0.289 . . . . 74.2 110.964 -176.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HG3' HG22 ' A' ' 45' ' ' ILE . 1.4 tt0 -84.68 -76.58 0.3 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.735 -0.839 . . . . 73.54 108.735 171.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.92 33.34 68.34 Favored Glycine 0 C--N 1.366 2.196 0 O-C-N 123.579 0.549 . . . . 73.12 112.977 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 t -100.63 -68.1 0.83 Allowed 'General case' 0 C--O 1.24 0.56 0 C-N-CA 122.914 0.486 . . . . 62.22 109.99 -173.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.9 t 176.65 -55.93 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.297 0.998 . . . . 73.32 109.955 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -81.16 88.4 6.02 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.027 0.931 . . . . 75.35 111.118 -169.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.678 HG23 HG23 ' A' ' 73' ' ' ILE . 5.2 p -141.63 131.56 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.98 0.912 . . . . 75.51 110.652 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -143.44 126.42 16.33 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.135 0.974 . . . . 74.44 109.516 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.465 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 88.2 t -100.3 114.87 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.346 1.058 . . . . 72.53 109.45 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.45 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -103.55 105.84 16.2 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.308 -0.997 . . . . 74.02 108.308 -178.062 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.6 t -95.27 107.46 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 108.583 -0.895 . . . . 61.42 108.583 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.503 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 35.6 m-70 -100.45 124.33 45.83 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 107.522 -1.288 . . . . 62.22 107.522 -177.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.9 t -157.43 111.69 2.65 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.866 -0.42 . . . . 72.31 109.866 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.88 15.83 67.45 Favored Glycine 0 C--N 1.356 1.687 0 O-C-N 124.1 0.875 . . . . 74.22 113.635 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.32 -14.33 43.49 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-O 119.592 -0.56 . . . . 74.4 113.559 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -91.8 126.32 36.85 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 117.5 0.65 . . . . 74.42 110.07 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 84.8 m -113.72 111.39 21.72 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.392 0.677 . . . . 65.13 110.148 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -94.39 115.51 27.72 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.516 -0.92 . . . . 74.0 108.516 173.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.9 p -99.13 126.65 44.93 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.642 0.777 . . . . 71.05 109.779 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.465 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 89.7 m-85 -122.03 107.44 12.22 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.134 0.974 . . . . 72.42 110.684 -173.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 108.376 -0.972 . . . . 74.33 108.376 171.581 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 120.382 0.134 . . . . 74.33 110.652 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' HB3' HD13 ' A' ' 66' ' ' LEU . 85.9 mt -65.6 -38.14 88.63 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 123.266 0.626 . . . . 73.43 111.231 175.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 33.1 tt0 -61.98 -33.49 74.41 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.616 0.573 . . . . 71.15 110.354 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -62.31 -42.34 99.29 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.162 0.585 . . . . 72.14 110.156 172.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.97 -30.6 67.99 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.519 -0.764 . . . . 75.14 109.522 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -64.71 -47.92 76.56 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.178 0.991 . . . . 75.45 110.237 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.8 mm-40 -64.96 -36.82 85.62 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.226 0.954 . . . . 75.04 110.307 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 40.6 tp -65.06 -52.59 54.89 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.452 -0.794 . . . . 55.42 110.51 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.618 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 21.0 m-85 -62.48 -34.22 76.42 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.543 0.737 . . . . 70.21 111.135 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.87 -38.65 91.69 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.794 0.838 . . . . 73.32 111.29 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 29.2 tt0 -72.52 -24.25 61.12 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.554 0.742 . . . . 62.44 110.499 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 82.2 mt -85.96 -32.11 21.73 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 121.515 0.674 . . . . 75.23 110.2 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -59.07 -38.25 78.98 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.638 1.575 . . . . 74.41 111.691 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 12.6 pt-20 -56.37 -27.55 56.45 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 123.931 0.769 . . . . 71.1 112.263 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -116.35 -8.74 11.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.403 0.681 . . . . 74.14 111.396 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.67 36.9 93.36 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 123.278 0.466 . . . . 74.3 113.819 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 t -68.93 164.37 22.36 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.695 0.798 . . . . 74.31 111.72 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.588 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 8.6 pt-20 -74.96 100.21 4.07 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.778 -0.646 . . . . 71.33 110.647 177.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.9 mt -94.54 110.8 24.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 108.761 -0.829 . . . . 74.23 108.761 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 47.2 t -100.59 104.47 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 107.86 -1.163 . . . . 74.05 107.86 176.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.9 t -91.73 128.11 43.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 108.708 -0.849 . . . . 61.02 108.708 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 88.6 tt0 -138.78 114.4 9.83 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.343 1.057 . . . . 75.44 108.264 -170.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 41.6 t -107.98 141.02 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.004 -0.739 . . . . 75.43 109.004 177.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -129.6 112.29 13.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.467 -1.309 . . . . 74.35 107.467 173.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.539 HG12 ' HA ' ' A' ' 81' ' ' VAL . 56.9 mt -137.52 117.52 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 117.955 0.343 . . . . 72.1 110.089 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 71.0 2.44 4.23 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.307 1.443 . . . . 65.02 113.419 172.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.03 -20.09 9.28 Favored Glycine 0 C--N 1.343 0.951 0 N-CA-C 111.794 -0.522 . . . . 60.32 111.794 -172.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -78.92 137.76 37.78 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.535 0.734 . . . . 74.33 109.196 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -121.24 153.18 37.97 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.402 0.62 . . . . 74.41 110.482 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 25.1 t0 -132.12 137.56 47.74 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.482 1.513 . . . . 64.13 106.98 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -143.19 119.12 10.61 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.736 -0.468 . . . . 74.23 109.736 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.5 mt -136.7 123.45 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 107.219 -1.4 . . . . 74.13 107.219 -176.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HG3' HG11 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -115.9 119.47 36.05 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.435 -0.95 . . . . 74.52 108.435 179.694 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -122.82 139.5 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.673 0.789 . . . . 74.14 110.025 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.588 ' HG2' ' HB3' ' A' ' 38' ' ' GLU . 64.1 mtt180 -127.51 134.33 49.79 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.23 1.012 . . . . 74.23 108.725 174.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.405 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER 54.53 67.47 1.01 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.446 1.098 . . . . 74.22 111.233 177.391 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.59 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -107.57 157.79 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 115.54 -0.755 . . . . 74.53 110.55 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.3 m -104.87 -175.57 2.83 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.498 0.719 . . . . 75.22 110.556 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -66.39 -33.35 75.51 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 114.08 1.141 . . . . 75.03 114.08 -166.649 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -87.05 -29.54 21.84 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 122.248 -0.283 . . . . 72.12 110.697 178.094 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.66 -42.85 85.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.787 -0.642 . . . . 71.13 111.11 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.618 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 4.6 pp -66.25 -29.16 69.34 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.759 0.424 . . . . 74.33 110.922 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.493 ' HD2' HD21 ' A' ' 66' ' ' LEU . 10.1 mmmm -59.72 -33.41 71.59 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.193 -0.912 . . . . 74.0 110.962 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -66.21 -25.62 67.01 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.25 0.344 . . . . 73.14 110.638 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.613 HD21 ' HA ' ' A' ' 62' ' ' LEU . 4.1 mm? -68.3 -51.37 45.58 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.687 0.617 . . . . 74.32 110.483 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.493 HD21 ' HD2' ' A' ' 63' ' ' LYS . 3.8 pp -69.7 -26.01 64.15 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.625 0.25 . . . . 74.22 110.715 177.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 43.7 mt-10 -75.31 -22.67 57.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.37 0.668 . . . . 72.32 111.603 176.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -74.48 -41.25 61.07 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.0 0.52 . . . . 74.11 109.744 170.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.24 -42.48 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.069 0.948 . . . . 74.55 110.687 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 5.7 ppt_? -60.62 -35.88 77.23 Favored 'General case' 0 C--N 1.361 1.096 0 CA-C-N 115.717 -0.674 . . . . 73.41 111.09 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.35 -43.19 99.41 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.329 1.018 . . . . 72.34 109.542 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -64.91 -50.2 67.45 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 123.336 0.397 . . . . 73.33 110.255 -176.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.0 pt -68.55 -31.81 52.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 115.66 -0.7 . . . . 75.12 111.74 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -87.93 -28.21 21.65 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.106 0.78 . . . . 74.03 113.106 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.6 mtp-105 -77.33 -43.21 33.83 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 110.23 -0.285 . . . . 74.41 110.23 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -73.48 -54.32 8.53 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 109.403 -0.591 . . . . 62.51 109.403 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.52 25.73 61.18 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 124.212 0.945 . . . . 75.02 114.301 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.7 t -101.45 175.72 5.48 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.616 0.766 . . . . 74.44 110.301 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.8 m -73.7 -26.95 60.96 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.611 0.764 . . . . 72.12 112.082 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 4.8 mp0 -79.93 58.49 2.91 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.156 0.983 . . . . 72.31 112.632 -172.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.539 ' HA ' HG12 ' A' ' 45' ' ' ILE . 95.1 t -99.77 129.53 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.843 -0.536 . . . . 74.11 111.2 -175.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -140.32 126.6 19.91 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.475 -0.935 . . . . 71.44 108.475 174.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 59.2 t -115.39 143.42 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 107.801 -1.185 . . . . 63.02 107.801 173.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.426 ' ND2' HG23 ' A' ' 93' ' ' THR . 5.8 t-20 -143.82 113.87 7.3 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.777 -0.453 . . . . 75.01 109.777 -173.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.6 t -111.81 110.86 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.437 -0.579 . . . . 72.3 109.437 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.543 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 30.3 m-70 -94.49 150.24 20.45 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.676 -1.231 . . . . 74.41 107.676 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 37.7 p -160.46 104.12 1.42 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 122.598 0.359 . . . . 74.03 110.056 173.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 65.7 -85.9 0.09 OUTLIER Glycine 0 C--N 1.345 1.083 0 O-C-N 123.564 0.54 . . . . 72.21 112.294 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.29 4.44 5.23 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-O 119.602 -0.555 . . . . 74.14 113.637 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -114.78 123.95 50.53 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 117.865 0.833 . . . . 64.54 110.277 177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.3 m -122.39 134.45 54.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.911 0.885 . . . . 74.43 109.312 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.5 m-90 -111.43 116.55 31.11 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.137 0.975 . . . . 75.01 108.947 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.426 HG23 ' ND2' ' A' ' 84' ' ' ASN . 40.2 p -93.32 103.18 15.44 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.778 0.831 . . . . 73.3 109.263 176.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.412 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 77.5 m-85 -91.35 108.61 20.01 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.27 -1.011 . . . . 74.22 108.27 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.1 m120 . . . . . 0 C--O 1.241 0.629 0 C-N-CA 123.443 0.697 . . . . 65.41 109.754 179.857 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 108.245 -1.02 . . . . 74.11 108.245 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.55 -179.55 53.39 Favored Glycine 0 C--N 1.352 1.423 0 CA-C-N 115.64 -0.709 . . . . 72.13 113.222 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -169.65 116.05 0.57 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.237 1.015 . . . . 72.11 108.758 176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -67.83 122.32 17.88 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.077 -0.712 . . . . 74.31 109.077 174.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -71.44 169.2 15.87 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.367 1.067 . . . . 63.41 110.562 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -57.04 125.73 23.97 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 123.553 0.533 . . . . 73.13 111.363 -171.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -78.67 149.92 32.72 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.195 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -120.27 114.93 22.61 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.906 0.882 . . . . 74.33 108.736 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.1 155.99 18.87 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.491 -0.929 . . . . 71.51 108.491 172.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -109.66 115.91 30.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.362 0.665 . . . . 75.04 110.322 -175.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.65 97.03 4.97 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 107.451 -1.314 . . . . 74.12 107.451 166.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -58.35 -32.27 68.38 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.319 1.048 . . . . 73.3 112.74 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -127.08 168.87 14.03 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.766 0.793 . . . . 74.53 111.606 -173.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -125.41 172.38 9.69 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.403 1.481 . . . . 73.31 107.206 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.3 m -79.76 52.22 1.42 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.276 1.031 . . . . 75.54 112.897 -172.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.551 ' HA ' ' HB3' ' A' ' 19' ' ' ASP . 36.0 t-80 -72.88 84.02 1.22 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.518 0.727 . . . . 75.54 111.57 -172.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.7 tpt -169.33 -53.02 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 106.689 -1.597 . . . . 73.22 106.689 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 73' ' ' ILE . 94.5 m -84.25 -35.71 23.21 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 114.679 -1.146 . . . . 73.14 109.313 167.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.551 ' HB3' ' HA ' ' A' ' 16' ' ' HIS . 23.3 t70 -58.79 93.04 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-N 114.854 -1.066 . . . . 72.44 111.086 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -145.85 -64.63 0.31 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 106.41 -1.7 . . . . 72.14 106.41 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 pt? -73.51 -23.78 60.07 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.615 -1.175 . . . . 74.23 110.202 168.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 85.8 mt -69.02 -42.76 75.96 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.313 0.645 . . . . 73.14 111.274 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.65 -37.73 85.12 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 110.105 -0.332 . . . . 75.35 110.105 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mmm-85 -60.04 -30.2 69.03 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.669 0.787 . . . . 74.43 111.247 174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 83.6 mt -77.41 -35.05 54.54 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 109.615 -0.513 . . . . 71.24 109.615 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HB2' HD22 ' A' ' 66' ' ' LEU . 25.3 ttt180 -70.23 -24.05 63.02 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 122.487 0.315 . . . . 75.24 110.984 178.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -62.31 -42.35 99.3 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.337 -0.616 . . . . 73.53 109.337 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -72.3 -38.75 68.66 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 123.962 0.788 . . . . 74.42 110.799 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -64.66 -47.04 79.9 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 122.849 0.46 . . . . 72.33 111.025 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -68.97 -30.57 69.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.572 1.149 . . . . 74.12 111.588 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.72 -53.22 35.66 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.174 0.59 . . . . 72.2 109.884 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.38 -19.99 64.66 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.184 0.994 . . . . 74.31 111.614 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.0 -17.76 58.22 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.258 1.023 . . . . 73.4 111.285 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.06 -39.67 72.4 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 123.563 0.745 . . . . 71.13 110.945 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -30.73 12.41 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 109.377 -0.601 . . . . 73.3 109.377 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.66 38.02 93.17 Favored Glycine 0 C--N 1.358 1.784 0 O-C-N 123.95 0.781 . . . . 71.43 112.976 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 t -77.49 -169.92 1.61 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.337 0.655 . . . . 70.35 110.888 -174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.24 88.6 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.857 0.863 . . . . 75.15 110.688 171.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 71.9 mt -94.43 108.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 107.443 -1.317 . . . . 74.32 107.443 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 60.4 t -104.53 107.35 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 109.13 -0.692 . . . . 75.32 109.13 -176.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 HD13 ' A' ' 65' ' ' LEU . 48.9 t -92.48 110.19 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 108.709 -0.849 . . . . 72.41 108.709 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 84' ' ' ASN . 9.8 tp10 -116.57 126.43 53.28 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.643 1.177 . . . . 74.33 108.87 -172.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 78.1 t -124.19 101.53 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.605 0.762 . . . . 75.53 109.007 -174.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 84.4 m-70 -96.41 110.98 23.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.027 0.931 . . . . 75.03 109.151 175.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mt -125.87 114.64 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 122.6 0.36 . . . . 75.21 110.061 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 71.68 -72.05 0.12 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 126.029 1.732 . . . . 73.24 111.5 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.16 11.06 0.26 Allowed Glycine 0 N--CA 1.471 1.015 0 CA-C-N 115.281 -0.872 . . . . 75.04 112.46 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -110.57 139.04 46.19 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 107.744 -1.206 . . . . 65.21 107.744 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 12.1 ptt180 -127.1 151.28 48.84 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.724 -0.472 . . . . 70.41 109.724 174.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.83 114.05 11.48 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.675 -0.861 . . . . 63.33 108.675 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -109.77 119.82 40.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.226 1.01 . . . . 74.45 109.254 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.4 mt -119.09 107.56 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 108.587 -0.894 . . . . 73.24 108.587 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.69 106.16 18.15 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 108.451 -0.944 . . . . 75.33 108.451 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.9 m -113.51 117.8 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.29 0.636 . . . . 74.12 109.489 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -121.73 110.7 16.26 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.412 -0.959 . . . . 70.34 108.412 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.4 73.76 0.44 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.726 1.21 . . . . 73.34 110.421 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -115.84 172.25 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.17 -0.923 . . . . 71.22 111.212 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.517 ' HB2' ' HG2' ' A' ' 61' ' ' GLU . 23.0 m -96.72 170.25 9.32 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.755 0.822 . . . . 74.1 110.659 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -27.75 66.76 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.684 0.794 . . . . 74.25 111.4 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -79.03 -19.85 50.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.337 1.055 . . . . 64.53 110.994 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.517 ' HG2' ' HB2' ' A' ' 58' ' ' SER . 27.0 mm-40 -81.37 -47.55 13.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.649 0.38 . . . . 73.43 109.98 176.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.77 -19.75 61.3 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.268 0.84 . . . . 72.5 113.268 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -63.78 -29.14 70.38 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.95 0.405 . . . . 75.41 110.016 172.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 14.8 mmmm -66.84 -26.5 66.95 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 123.23 0.612 . . . . 73.32 111.182 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 41' ' ' VAL . 84.0 mt -61.75 -54.82 37.25 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.9 0.48 . . . . 74.21 110.556 -176.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 26' ' ' ARG . 1.9 pp -69.75 -30.55 68.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.57 0.748 . . . . 73.21 111.149 177.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.78 -14.13 61.9 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.099 0.96 . . . . 72.51 110.974 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 40.1 mtp180 -87.79 -35.16 18.01 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 121.871 -0.518 . . . . 74.43 110.773 165.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 65' ' ' LEU . 81.8 mt -63.51 -36.63 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.314 0.646 . . . . 71.32 110.861 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 34.3 ptt180 -54.81 -41.39 70.57 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 123.659 0.599 . . . . 74.4 109.801 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 45.6 mt-10 -66.7 -30.81 71.14 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.078 0.951 . . . . 71.15 109.812 -175.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -75.12 -43.4 52.89 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 115.552 -0.749 . . . . 74.2 109.168 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 18' ' ' THR . 2.5 pp -77.75 -19.07 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 CA-C-N 116.281 -0.418 . . . . 75.52 111.463 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 63.3 mm-40 -72.65 -51.95 17.36 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.743 0.417 . . . . 71.42 110.136 173.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.457 ' HG3' ' HG2' ' A' ' 76' ' ' GLU . 14.5 ptm180 -69.56 -35.91 75.84 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.281 -0.418 . . . . 74.33 111.97 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG2' ' HG3' ' A' ' 75' ' ' ARG . 48.1 mm-40 -94.77 -59.24 1.96 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.75 0.42 . . . . 74.35 110.593 -177.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.04 25.37 67.97 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-N 116.095 -0.502 . . . . 74.14 113.701 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.4 m -98.76 152.29 19.85 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.545 0.738 . . . . 54.43 111.176 -172.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.5 t -67.94 -26.59 66.03 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.098 0.959 . . . . 75.45 110.947 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.44 77.08 2.49 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.01 -0.737 . . . . 75.3 109.01 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 p -135.41 134.24 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.598 0.759 . . . . 72.53 109.663 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 28.0 tt0 -138.47 112.37 8.44 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.537 1.135 . . . . 75.3 108.02 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.3 t -99.59 130.36 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 107.114 -1.439 . . . . 75.22 107.114 170.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 42' ' ' GLU . 49.4 t-20 -138.45 105.5 5.44 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.309 -0.997 . . . . 72.31 108.309 -161.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.64 123.42 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 N-CA-C 108.91 -0.774 . . . . 71.42 108.91 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.513 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 65.7 m-70 -109.98 146.99 34.32 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.964 -1.125 . . . . 71.14 107.964 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.3 p -157.61 103.6 1.93 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 109.126 -0.694 . . . . 73.35 109.126 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 59.28 33.39 75.33 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.266 -0.424 . . . . 72.31 113.151 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.35 -17.98 56.06 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-O 119.944 -0.365 . . . . 73.51 113.21 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 19.7 mt-30 -80.91 122.53 27.35 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.004 0.521 . . . . 73.42 110.405 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.2 m -116.69 139.26 50.75 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.673 0.789 . . . . 70.33 110.998 -171.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -135.6 124.14 23.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.788 1.235 . . . . 73.02 108.667 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 p -109.54 111.76 23.46 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.041 0.537 . . . . 73.31 111.077 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -96.03 109.13 21.59 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.941 1.296 . . . . 73.25 109.081 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -116.69 139.79 50.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.002 0.921 . . . . 71.42 109.268 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -74.17 105.31 5.31 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 109.609 -0.515 . . . . 73.41 109.609 174.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.3 pttm . . . . . 0 CA--C 1.558 1.28 0 CA-C-N 114.479 -1.237 . . . . 74.41 111.753 -178.187 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.655 0.264 . . . . 74.45 110.398 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.53 168.9 12.87 Favored Glycine 0 C--N 1.341 0.841 0 CA-C-N 116.09 -0.505 . . . . 75.22 112.246 176.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -159.13 141.7 14.07 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.107 0.563 . . . . 64.34 110.513 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -135.13 173.36 11.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.298 1.039 . . . . 75.11 109.296 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -165.68 112.63 0.93 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 107.528 -1.286 . . . . 74.4 107.528 175.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -119.87 137.12 54.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.542 0.737 . . . . 73.13 109.035 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -65.25 146.14 55.33 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.443 0.465 . . . . 75.41 110.598 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -152.0 58.84 0.85 Allowed 'General case' 0 C--O 1.241 0.614 0 N-CA-C 107.646 -1.242 . . . . 74.43 107.646 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.13 148.51 17.83 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 113.52 -1.673 . . . . 74.12 113.372 -171.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -115.12 89.7 3.16 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 107.781 -1.192 . . . . 62.11 107.781 170.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 pp -72.88 164.36 26.75 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.814 -1.085 . . . . 71.15 110.815 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -103.55 110.56 22.66 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.353 -0.98 . . . . 74.42 108.353 171.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -70.05 -48.86 56.13 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.591 -0.732 . . . . 74.35 109.076 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -120.25 108.73 14.55 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.235 1.014 . . . . 72.31 108.842 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.54 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 36.4 m -70.93 124.38 24.21 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.637 0.775 . . . . 75.53 110.649 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -145.45 -27.26 0.46 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.569 0.747 . . . . 75.45 110.006 -175.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.5 mtt -91.95 55.41 2.64 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.227 1.011 . . . . 74.15 109.831 -175.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.407 HG22 HD13 ' A' ' 73' ' ' ILE . 13.1 t 44.61 27.67 0.26 Allowed 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 126.192 1.797 . . . . 71.33 113.702 -172.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 15' ' ' SER . 20.4 m-20 -64.18 -13.78 50.86 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.249 1.019 . . . . 70.13 111.616 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HG3' HH21 ' A' ' 24' ' ' ARG . 12.7 tp10 -58.6 -49.89 75.84 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.828 0.851 . . . . 74.13 111.011 176.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.02 -52.07 27.14 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.246 0.618 . . . . 72.05 110.524 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 66' ' ' LEU . 57.3 mt -63.47 -45.19 91.93 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.687 -1.142 . . . . 62.25 112.687 -164.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -72.37 -17.55 61.81 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.857 -0.61 . . . . 73.43 111.18 -172.29 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.441 HH21 ' HG3' ' A' ' 20' ' ' GLU . 80.6 mtt-85 -61.98 -40.61 96.22 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.602 0.715 . . . . 61.41 109.53 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.59 -30.03 65.36 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.588 -1.187 . . . . 74.44 109.476 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -59.32 -45.7 90.59 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.23 0.331 . . . . 70.03 110.2 172.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 59.0 mm-40 -60.19 -30.84 69.62 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.759 0.662 . . . . 75.33 110.799 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.2 tp -72.49 -43.53 63.5 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.874 -0.603 . . . . 74.13 110.494 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.483 ' HB2' HD11 ' A' ' 62' ' ' LEU . 16.6 m-30 -68.47 -22.46 64.56 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.918 0.487 . . . . 71.53 110.573 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -80.3 -36.79 33.84 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.274 1.029 . . . . 73.13 109.33 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -61.93 -32.91 73.36 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.294 0.637 . . . . 73.45 109.991 171.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 35' ' ' ARG . 77.9 mt -87.68 -22.9 24.39 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.022 0.929 . . . . 71.5 111.852 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -53.63 -38.06 63.7 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.387 1.075 . . . . 71.44 112.551 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.87 -36.35 76.72 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.449 -0.796 . . . . 75.25 112.766 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.03 -26.47 16.77 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.665 -0.495 . . . . 75.24 109.665 178.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.62 24.35 64.03 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.981 0.801 . . . . 71.35 114.052 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.0 t -76.63 -177.74 4.39 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.983 0.513 . . . . 75.22 110.999 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.78 100.74 0.06 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.189 0.996 . . . . 72.31 112.219 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.448 HD13 HD13 ' A' ' 57' ' ' ILE . 59.0 mt -95.91 113.47 30.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 N-CA-C 107.874 -1.158 . . . . 64.31 107.874 172.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.502 HG21 ' HG2' ' A' ' 53' ' ' ARG . 21.4 t -107.32 105.48 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.823 -0.806 . . . . 75.41 108.823 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 65' ' ' LEU . 72.4 t -92.58 110.93 23.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.172 -1.047 . . . . 74.31 108.172 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 41.2 tt0 -118.38 108.84 15.55 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.82 0.448 . . . . 73.44 110.455 -174.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.475 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 38.8 t -96.7 102.08 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.011 0.925 . . . . 75.01 109.626 -174.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.477 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 28.3 m-70 -90.45 106.19 18.33 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 109.003 -0.74 . . . . 64.43 109.003 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 43.8 mt -127.9 119.06 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 122.91 0.484 . . . . 75.33 110.387 175.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 58.96 31.17 21.1 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.799 1.24 . . . . 64.42 112.004 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.33 -20.97 44.85 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.462 -0.79 . . . . 72.21 113.416 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.35 118.39 24.86 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.147 0.579 . . . . 73.24 110.707 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -94.59 113.04 24.8 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.582 0.706 . . . . 73.43 109.684 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 8.9 t70 -85.36 136.4 33.48 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 107.362 -1.347 . . . . 72.42 107.362 172.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -129.43 114.12 15.76 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.166 0.439 . . . . 73.43 110.215 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.6 mt -122.36 131.63 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 107.927 -1.138 . . . . 74.53 107.927 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.502 ' HG2' HG21 ' A' ' 40' ' ' VAL . 54.9 mtt180 -125.95 130.19 50.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.651 0.78 . . . . 73.3 109.371 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.46 HG13 HD11 ' A' ' 65' ' ' LEU . 9.7 p -140.84 141.52 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 122.815 0.446 . . . . 75.22 111.046 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.11 139.04 53.7 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.299 1.039 . . . . 74.21 108.817 175.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.15 83.65 0.09 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.939 1.296 . . . . 75.35 111.777 172.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.523 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.1 pp -146.11 151.69 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 115.402 -0.817 . . . . 73.34 110.681 -175.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 m -97.52 178.6 5.13 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.299 1.039 . . . . 62.22 109.868 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -53.1 -49.12 67.12 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.585 1.154 . . . . 74.42 113.889 -169.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -29.82 63.04 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 118.192 0.451 . . . . 72.14 111.509 -175.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.29 -49.83 52.36 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.427 -0.806 . . . . 74.14 110.796 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.523 ' HB3' HD11 ' A' ' 57' ' ' ILE . 4.3 pp -71.52 -21.11 61.96 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.396 0.278 . . . . 72.3 110.861 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 21.9 mtpp -64.66 -27.99 69.31 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 119.527 -0.273 . . . . 72.24 111.065 171.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.47 -27.36 68.51 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 117.816 0.28 . . . . 72.01 111.004 175.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' A' ' 41' ' ' VAL . 57.3 mt -64.67 -47.65 77.65 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.291 0.636 . . . . 70.11 110.439 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 3.8 pp -81.34 -22.62 38.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.333 -0.848 . . . . 74.34 111.705 -177.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HG2' ' NH2' ' A' ' 70' ' ' ARG . 53.4 mt-10 -77.19 -22.28 52.66 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.124 0.57 . . . . 71.15 110.281 173.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 51.2 mtt180 -70.67 -43.89 68.18 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 122.93 0.492 . . . . 74.41 109.804 167.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.73 -40.14 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.452 0.701 . . . . 75.43 110.032 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.473 ' NH2' ' HG2' ' A' ' 67' ' ' GLU . 37.8 ttm180 -51.34 -49.85 60.61 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.322 1.049 . . . . 72.21 111.577 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.33 -38.96 85.39 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 115.173 -0.921 . . . . 75.43 110.53 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 30.0 mmtp -69.62 -49.56 52.7 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 109.988 -0.375 . . . . 73.14 109.988 -173.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.407 HD13 HG22 ' A' ' 18' ' ' THR . 33.0 pt -75.47 -35.53 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 123.563 0.745 . . . . 73.52 112.29 -170.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -83.36 -44.62 14.65 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.752 0.421 . . . . 61.11 111.076 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -77.06 -18.79 57.82 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.601 0.36 . . . . 74.21 111.419 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.14 -44.64 21.57 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.441 -0.578 . . . . 75.23 109.441 165.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.54 -46.66 3.36 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.647 -0.706 . . . . 74.01 111.895 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.3 t -56.19 126.2 25.1 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.281 1.033 . . . . 75.13 110.54 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.2 p -84.35 11.75 7.9 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.56 0.744 . . . . 64.14 111.284 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 6.9 tp10 -73.56 78.29 1.47 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.839 -0.8 . . . . 63.11 108.839 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.9 118.99 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 121.809 0.814 . . . . 75.52 111.023 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.477 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 34.0 tt0 -115.87 111.53 20.59 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.687 1.595 . . . . 75.45 106.979 174.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.2 t -98.95 114.28 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 109.206 -0.664 . . . . 63.14 109.206 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.52 108.63 21.11 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.33 -0.989 . . . . 74.32 108.33 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -94.61 107.71 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 108.012 -1.107 . . . . 75.51 108.012 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.46 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 15.8 m-70 -102.03 116.19 32.16 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.751 -1.203 . . . . 75.22 107.751 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 t -143.36 112.06 6.46 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.184 -0.673 . . . . 72.24 109.184 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.01 23.83 74.46 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 124.013 0.821 . . . . 62.24 112.674 -172.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.76 -10.99 73.34 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 123.201 0.429 . . . . 73.23 113.6 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -85.32 121.98 28.84 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.147 0.579 . . . . 71.1 109.993 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 83.7 m -109.2 126.75 53.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.113 0.965 . . . . 73.43 110.05 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -117.74 116.43 27.01 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.628 -0.879 . . . . 74.43 108.628 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.6 p -99.59 106.02 17.94 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.914 0.885 . . . . 72.44 111.794 -172.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -91.99 115.57 28.18 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.141 0.976 . . . . 73.04 109.489 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -127.03 114.12 17.37 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.491 0.716 . . . . 75.24 110.341 -175.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -96.18 102.78 14.62 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.248 -1.019 . . . . 63.4 108.248 165.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.598 ' HZ1' ' HB3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.351 0 N-CA-C 108.318 -0.993 . . . . 71.23 108.318 -177.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 109.236 -0.653 . . . . 74.5 109.236 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.32 51.16 0.87 Allowed Glycine 0 C--N 1.35 1.338 0 O-C-N 123.199 0.312 . . . . 55.14 112.815 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -68.56 114.41 6.94 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.937 -0.764 . . . . 51.32 108.937 172.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -59.07 88.28 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.518 1.127 . . . . 65.14 112.047 -174.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -133.36 107.21 7.95 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.488 -0.93 . . . . 75.51 108.488 175.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -130.01 85.31 2.28 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.99 -0.744 . . . . 62.35 108.99 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -102.57 153.11 20.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.075 -0.966 . . . . 71.24 110.01 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -166.5 155.46 10.92 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.563 0.745 . . . . 53.52 109.311 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 153.7 34.16 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.197 0.599 . . . . 64.44 111.444 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -128.45 128.81 45.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.061 0.544 . . . . 71.41 110.408 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -87.98 96.45 10.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.555 -0.906 . . . . 65.52 108.555 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -81.89 97.19 7.92 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.681 -0.859 . . . . 74.13 108.681 174.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -67.84 136.59 54.34 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.817 -0.629 . . . . 71.33 109.961 -176.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.15 -60.15 3.91 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.568 1.147 . . . . 75.42 110.339 -174.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.6 p -83.07 109.34 17.05 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.3 0.571 . . . . 73.55 109.964 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -86.82 139.58 30.54 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.421 -0.809 . . . . 74.23 110.651 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.9 ptm -136.78 83.22 1.99 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.232 1.013 . . . . 70.35 109.786 -175.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.2 m 70.98 -5.05 1.59 Allowed 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 124.976 1.31 . . . . 54.23 112.873 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.616 ' HA ' ' HB2' ' A' ' 22' ' ' LEU . 6.1 p-10 -77.26 1.44 18.62 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.384 0.673 . . . . 74.1 112.409 -172.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.54 -52.03 24.54 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.408 0.683 . . . . 75.05 109.434 174.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.86 -39.6 87.62 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 115.012 -0.995 . . . . 75.42 110.327 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.616 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 75.2 mt -70.9 -28.98 64.93 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.624 -1.171 . . . . 74.24 111.384 -176.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 24.0 tp10 -62.54 -30.56 71.39 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.079 0.466 . . . . 74.11 110.668 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -63.69 -41.85 98.09 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.331 -0.85 . . . . 74.41 109.359 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.0 mt -73.73 -33.13 64.21 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.715 -1.13 . . . . 71.12 109.097 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.552 ' HB2' HD13 ' A' ' 66' ' ' LEU . 33.9 ttt180 -64.39 -48.71 74.4 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.052 0.941 . . . . 74.12 111.8 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.21 -32.5 71.17 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 123.441 0.463 . . . . 74.42 111.569 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.9 tp -67.34 -48.81 66.41 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.832 -0.622 . . . . 74.35 109.593 170.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 33' ' ' HIS . 21.2 m-30 -57.8 -30.99 66.15 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.079 0.552 . . . . 74.32 111.561 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 33' ' ' HIS . 78.6 mm-40 -73.26 -43.31 61.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.102 0.561 . . . . 75.23 109.907 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.53 -30.61 68.72 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.089 0.956 . . . . 74.42 111.152 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 51.1 mt -84.97 -45.76 11.87 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.359 -0.837 . . . . 73.45 110.508 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.435 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -66.27 -27.48 67.97 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.209 0.603 . . . . 73.04 111.329 -173.553 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.3 -26.43 62.85 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.772 -0.649 . . . . 74.22 111.247 -176.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -100.82 -15.13 17.72 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.755 0.422 . . . . 75.41 110.571 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.26 29.54 40.49 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.608 0.567 . . . . 73.43 113.597 172.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -84.85 156.24 21.39 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 109.358 -0.608 . . . . 72.34 109.358 171.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.82 143.93 45.74 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.788 0.435 . . . . 74.33 110.665 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.52 HD12 HD12 ' A' ' 57' ' ' ILE . 47.5 mt -117.0 109.01 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 109.086 -0.709 . . . . 74.41 109.086 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.597 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 62.5 t -97.69 106.07 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 108.361 -0.978 . . . . 75.42 108.361 173.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -94.06 137.85 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.3 -1.0 . . . . 74.13 108.3 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.491 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 78.6 tt0 -139.08 108.13 6.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 117.84 0.291 . . . . 73.01 111.035 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 58.8 t -90.73 103.82 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 124.374 1.07 . . . . 64.44 110.188 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -89.11 111.86 22.72 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.783 0.833 . . . . 71.12 109.843 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.51 HG21 ' HG3' ' A' ' 76' ' ' GLU . 45.0 mt -120.02 107.82 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 109.172 -0.677 . . . . 73.22 109.172 173.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 63.86 -71.93 0.06 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.506 1.523 . . . . 75.42 111.299 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.82 -7.43 0.36 Allowed Glycine 0 N--CA 1.471 0.985 0 CA-C-N 115.901 -0.59 . . . . 64.35 113.1 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.8 143.16 31.97 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.439 0.696 . . . . 75.11 109.918 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -127.5 117.02 21.31 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.366 0.667 . . . . 73.31 109.243 173.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.521 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 19.3 t70 -97.78 110.65 23.18 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.105 -1.072 . . . . 75.24 108.105 175.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -117.13 115.26 25.0 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.747 -0.464 . . . . 72.43 109.747 -174.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.7 mt -121.89 122.92 68.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 124.448 1.099 . . . . 71.1 108.581 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.512 ' HG2' HG12 ' A' ' 40' ' ' VAL . 58.4 mtt180 -113.0 118.36 34.59 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.367 0.667 . . . . 72.45 109.5 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 m -114.03 150.24 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.851 0.86 . . . . 72.22 110.23 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -134.9 116.7 15.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.795 0.838 . . . . 74.3 109.884 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.79 82.85 0.13 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.561 1.144 . . . . 75.22 111.157 -178.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.52 HD12 HD12 ' A' ' 39' ' ' ILE . 1.9 pp -123.16 162.98 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.922 0.889 . . . . 74.21 110.913 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m -102.35 -176.08 3.01 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.763 0.825 . . . . 72.54 111.226 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -60.88 -39.26 88.56 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 113.726 1.01 . . . . 74.35 113.726 -171.171 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -28.81 24.9 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.233 0.469 . . . . 74.35 110.004 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -61.24 -43.11 99.41 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.553 0.741 . . . . 74.24 111.674 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.509 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.4 pp -74.41 -23.74 59.0 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.555 -0.293 . . . . 72.51 110.284 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 79.0 mttt -68.31 -20.37 64.74 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 122.229 -0.294 . . . . 75.34 110.817 170.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 13.6 mmmm -70.76 -29.9 66.25 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.851 -0.796 . . . . 71.35 108.851 173.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 93.5 mt -65.95 -44.67 84.34 Favored 'General case' 0 C--N 1.368 1.375 0 N-CA-C 109.067 -0.716 . . . . 75.41 109.067 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD13 ' HB2' ' A' ' 26' ' ' ARG . 84.9 mt -58.13 -39.06 77.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.893 -1.049 . . . . 74.23 111.082 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 49.2 mt-10 -71.16 -33.76 70.32 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.761 -0.654 . . . . 74.41 111.059 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 5.6 mmp_? -67.03 -37.69 84.57 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.621 0.191 . . . . 74.05 110.888 175.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.18 -45.5 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.687 0.795 . . . . 75.13 109.854 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.469 ' HB3' HD11 ' A' ' 22' ' ' LEU . 20.7 ptt180 -62.89 -35.43 80.0 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 116.191 -0.458 . . . . 74.43 110.036 -174.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 49.2 mm-40 -55.1 -44.58 75.05 Favored 'General case' 0 C--N 1.367 1.345 0 O-C-N 123.637 0.585 . . . . 74.54 109.607 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -69.51 -53.66 17.99 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 124.294 0.996 . . . . 73.34 110.223 -172.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.586 HG22 HG21 ' A' ' 81' ' ' VAL . 23.0 pt -67.12 -25.73 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 CA-C-N 115.654 -0.703 . . . . 75.42 111.871 -173.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -88.05 -43.22 11.87 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.642 0.608 . . . . 75.01 112.642 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 15.0 ptm180 -62.79 -39.36 93.98 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.311 0.244 . . . . 74.41 110.352 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.51 ' HG3' HG21 ' A' ' 45' ' ' ILE . 13.4 mm-40 -82.35 -57.13 3.5 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 109.615 -0.513 . . . . 75.21 109.615 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.66 10.41 84.79 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-N 115.669 -0.696 . . . . 61.35 113.274 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 p -86.45 142.62 28.27 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 123.802 0.841 . . . . 71.13 111.389 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.0 m -85.1 60.91 6.54 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.958 0.885 . . . . 74.11 109.744 170.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -148.58 29.56 0.84 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.247 -1.342 . . . . 74.33 107.87 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.586 HG21 HG22 ' A' ' 73' ' ' ILE . 2.6 p -105.21 112.74 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.965 0.888 . . . . 72.33 110.266 175.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -107.3 121.62 44.92 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.398 1.479 . . . . 73.35 107.936 170.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 59.2 t -96.29 145.05 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 106.946 -1.502 . . . . 73.4 106.946 176.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.23 109.94 11.55 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.506 -1.294 . . . . 63.12 107.506 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.5 t -91.99 130.13 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.655 -0.869 . . . . 75.12 108.655 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.597 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 11.0 m-70 -123.76 127.57 48.31 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 106.422 -1.696 . . . . 73.34 106.422 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -158.42 124.93 4.73 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.425 0.557 . . . . 73.43 110.981 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.45 28.57 71.38 Favored Glycine 0 C--N 1.354 1.549 0 O-C-N 124.036 0.835 . . . . 65.42 114.421 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.25 -20.62 49.77 Favored Glycine 0 C--N 1.346 1.091 0 CA-C-O 119.852 -0.415 . . . . 71.15 113.267 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.45 153.75 25.5 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.069 0.547 . . . . 75.33 111.138 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.7 m -141.97 132.83 25.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.423 1.089 . . . . 74.23 108.942 172.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -118.45 147.19 43.85 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.567 0.747 . . . . 73.53 109.043 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.0 m -101.32 133.88 45.24 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.64 0.776 . . . . 75.24 109.57 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 69.9 m-85 -125.84 120.53 30.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.264 1.026 . . . . 74.23 109.135 -175.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -128.2 132.86 48.82 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.241 0.617 . . . . 62.25 110.156 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.02 160.16 25.96 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.676 0.791 . . . . 64.12 111.192 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt . . . . . 0 C--O 1.252 1.213 0 N-CA-C 108.772 -0.825 . . . . 73.14 108.772 -177.439 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.469 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 121.419 0.628 . . . . 73.21 109.576 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.07 105.59 0.19 Allowed Glycine 0 C--N 1.342 0.886 0 N-CA-C 110.695 -0.962 . . . . 64.03 110.695 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -79.53 83.19 5.55 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.635 0.774 . . . . 72.31 109.64 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -69.15 97.84 0.95 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.574 0.75 . . . . 73.1 110.208 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.7 p-80 -106.65 -59.39 1.8 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.152 -0.931 . . . . 65.24 108.742 171.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 50.11 13.62 0.11 Allowed 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 126.03 1.732 . . . . 74.05 113.627 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -89.85 78.44 6.83 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.561 0.695 . . . . 74.22 109.896 -168.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -137.36 166.57 23.5 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 114.687 -1.142 . . . . 74.51 108.402 172.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 63.91 20.39 12.18 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.838 1.255 . . . . 75.02 110.634 -173.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.05 160.21 8.36 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.356 1.062 . . . . 71.55 111.744 -172.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.74 76.85 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.21 1.004 . . . . 61.42 112.195 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -73.85 -41.67 61.91 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.598 -1.26 . . . . 74.41 107.598 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -96.48 128.6 43.56 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.348 -1.296 . . . . 75.14 108.145 166.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -93.27 23.26 4.55 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.579 0.752 . . . . 74.22 111.05 -175.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -66.49 86.81 0.12 Allowed 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.432 0.693 . . . . 71.13 109.768 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -150.99 153.19 34.7 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.733 0.813 . . . . 73.23 110.868 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.6 tpt -138.98 68.91 1.37 Allowed 'General case' 0 C--O 1.235 0.323 0 N-CA-C 105.948 -1.871 . . . . 63.22 105.948 163.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.5 p -79.76 -9.33 59.64 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.033 -1.44 . . . . 74.32 111.706 -176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 23' ' ' GLU . 7.3 m-20 -60.48 -13.61 14.68 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.131 0.972 . . . . 73.13 112.716 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HB2' HD12 ' A' ' 21' ' ' LEU . 46.1 mm-40 -51.55 -43.8 62.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.442 0.697 . . . . 55.44 110.991 168.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 20' ' ' GLU . 2.8 mp -98.56 -35.5 10.21 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.026 0.93 . . . . 73.35 110.191 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.608 HD13 ' HB3' ' A' ' 70' ' ' ARG . 52.0 mt -85.5 -37.13 20.04 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.794 1.405 . . . . 73.44 114.794 -166.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 40.0 tt0 -63.22 -37.23 86.41 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 118.677 0.672 . . . . 73.34 111.195 -174.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -66.73 -29.22 69.15 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 116.069 -0.514 . . . . 73.3 110.799 174.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.79 -40.94 72.28 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 109.115 -0.698 . . . . 75.41 109.115 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -52.93 -50.12 64.63 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 124.192 0.933 . . . . 75.44 109.924 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 81.4 mm-40 -62.96 -37.22 86.24 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.52 1.137 . . . . 72.51 110.967 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.36 -42.01 93.23 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.266 0.626 . . . . 75.24 110.303 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 37.2 m-85 -72.99 -37.93 66.83 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.165 0.586 . . . . 73.3 110.917 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.1 -35.08 77.61 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.558 0.743 . . . . 74.22 110.129 174.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -70.42 -55.8 8.17 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.231 -0.895 . . . . 74.15 110.102 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 83.7 mt -64.63 -17.8 64.36 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.424 1.09 . . . . 74.31 112.077 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -58.43 -20.72 47.07 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 124.174 0.99 . . . . 71.31 112.003 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -56.46 -38.73 72.07 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.748 1.219 . . . . 73.03 111.705 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HG3' HG21 ' A' ' 37' ' ' THR . 5.9 ptm180 -112.64 -20.2 11.78 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.265 1.026 . . . . 75.44 110.491 -169.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.16 37.72 87.35 Favored Glycine 0 C--N 1.352 1.434 0 O-C-N 124.138 0.899 . . . . 72.31 113.298 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.444 HG21 ' HG3' ' A' ' 35' ' ' ARG . 12.8 p -69.18 153.86 43.0 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.914 0.486 . . . . 73.11 111.001 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.16 102.17 1.62 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.047 0.927 . . . . 75.34 109.46 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.1 mt -92.48 112.92 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 114.387 -1.279 . . . . 73.53 108.867 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 41.8 t -101.56 102.84 14.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.265 -1.383 . . . . 73.54 107.265 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.2 t -93.49 110.98 24.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 108.033 -1.099 . . . . 74.32 108.033 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 14.7 tp10 -111.63 105.75 14.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.271 1.028 . . . . 75.04 108.67 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 38.1 t -89.82 134.27 29.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 N-CA-C 107.681 -1.229 . . . . 71.42 107.681 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 65.2 m170 -130.6 108.88 10.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.424 1.089 . . . . 63.33 108.785 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 81' ' ' VAL . 35.1 mt -139.22 97.3 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.654 0.781 . . . . 71.25 109.843 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.446 ' ND2' ' HB3' ' A' ' 80' ' ' GLU . 23.3 m-80 56.67 26.84 11.72 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.711 1.205 . . . . 72.35 113.754 169.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.0 -26.87 8.09 Favored Glycine 0 N--CA 1.469 0.875 0 N-CA-C 111.9 -0.48 . . . . 62.25 111.9 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -78.39 107.18 10.83 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.047 0.539 . . . . 72.2 109.731 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.544 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 35.7 ptt180 -111.39 151.01 28.98 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.691 -0.686 . . . . 64.22 109.332 176.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -146.71 114.55 6.48 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.187 -0.672 . . . . 74.51 109.187 -175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.2 107.21 17.93 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.003 0.921 . . . . 72.24 109.722 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.0 mt -111.91 107.34 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.439 -0.949 . . . . 72.23 108.439 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -100.69 103.65 14.92 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 108.311 -0.996 . . . . 74.02 108.311 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.5 m -113.36 152.19 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 124.857 1.263 . . . . 74.12 108.904 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -122.19 -58.03 1.74 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.501 0.667 . . . . 71.25 109.352 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -116.58 91.77 3.68 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.034 -0.984 . . . . 70.25 108.637 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 pp -120.89 111.78 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.957 0.903 . . . . 73.13 110.323 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -77.92 174.77 10.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.748 0.819 . . . . 74.04 110.031 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -34.1 9.57 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 115.289 1.589 . . . . 73.44 115.289 -169.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -88.15 -30.08 20.07 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.994 0.518 . . . . 73.15 111.899 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -84.7 -28.53 26.29 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.997 0.74 . . . . 71.15 112.997 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.601 ' HA ' HD22 ' A' ' 65' ' ' LEU . 4.5 pp -72.58 -26.09 61.58 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.759 -0.46 . . . . 75.23 109.759 176.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.7 mmmm -52.24 -36.83 53.47 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 114.782 -1.099 . . . . 74.22 111.127 168.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 25.9 mmtp -62.36 -30.95 71.55 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.798 0.439 . . . . 71.34 111.144 -175.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 62' ' ' LEU . 4.4 mm? -61.54 -46.5 89.66 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.675 0.79 . . . . 74.33 110.857 -177.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.1 pp -81.89 -29.13 32.56 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.439 -0.801 . . . . 75.21 110.835 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 44.0 mt-10 -73.25 -19.01 61.16 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.884 0.473 . . . . 70.44 111.137 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 4.1 mmp_? -70.7 -37.65 73.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.865 0.466 . . . . 72.42 110.741 166.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -72.67 -38.7 59.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 122.952 0.501 . . . . 74.11 111.181 -176.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.608 ' HB3' HD13 ' A' ' 22' ' ' LEU . 7.8 ptp85 -59.1 -42.85 91.49 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.176 0.298 . . . . 75.21 110.794 -176.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 5.8 pt-20 -64.89 -33.12 75.27 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 109.449 -0.574 . . . . 75.32 109.449 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 72.2 mmtt -65.15 -53.0 51.78 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.926 -0.768 . . . . 72.4 108.926 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 pp -66.87 -25.8 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 115.488 -0.778 . . . . 74.43 111.06 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.43 -55.03 4.21 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 123.517 0.727 . . . . 61.22 112.506 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 37.2 ptt85 -83.16 -34.31 26.02 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 112.594 0.59 . . . . 75.54 112.594 -170.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -70.24 -46.01 65.32 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.72 -1.215 . . . . 74.21 107.72 165.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.5 -29.49 2.28 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-N 115.31 -0.859 . . . . 74.14 114.613 171.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.7 m -61.06 121.02 11.41 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.552 1.141 . . . . 72.43 111.172 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 p -74.96 78.48 2.17 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.564 1.145 . . . . 64.23 111.337 -176.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' HB3' ' ND2' ' A' ' 46' ' ' ASN . 1.9 tm-20 -162.2 94.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 104.986 -2.227 . . . . 75.53 104.986 174.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.472 ' HA ' HG12 ' A' ' 45' ' ' ILE . 47.3 t -125.21 132.7 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.839 0.856 . . . . 73.33 108.97 -172.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 34.4 tt0 -141.79 108.32 5.32 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.467 0.707 . . . . 72.31 109.658 174.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -100.85 129.2 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 108.638 -0.875 . . . . 71.12 108.638 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.552 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 8.4 m120 -119.19 107.72 13.78 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.508 -0.923 . . . . 72.01 108.508 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 91' ' ' THR . 89.0 t -99.6 104.16 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 108.927 -0.768 . . . . 73.12 108.927 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.442 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 44.1 m-70 -98.84 112.54 24.6 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.018 0.927 . . . . 75.51 109.01 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.9 p -159.7 129.84 5.57 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 122.917 0.487 . . . . 75.1 110.229 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.31 30.64 77.06 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.931 0.769 . . . . 73.11 114.021 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.27 -2.36 87.87 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-O 119.879 -0.4 . . . . 60.43 113.465 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -106.2 157.66 17.41 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.693 0.797 . . . . 73.03 110.045 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 89.8 m -141.04 116.71 10.28 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 123.754 0.821 . . . . 75.2 109.622 173.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -95.66 116.65 29.16 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.173 -0.677 . . . . 74.12 109.173 174.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.6 p -99.33 104.58 16.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.426 0.69 . . . . 70.34 110.218 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -102.48 108.34 19.62 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.035 0.934 . . . . 74.55 110.181 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -102.61 154.41 19.16 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.544 0.738 . . . . 65.32 109.038 173.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -69.71 158.86 34.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 119.516 -0.278 . . . . 75.41 110.446 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.57 1.745 0 C-N-CA 125.709 1.604 . . . . 74.41 115.202 -162.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.2 ttm . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 110.368 -0.234 . . . . 74.23 110.368 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.19 97.96 0.12 Allowed Glycine 0 C--N 1.348 1.204 0 CA-C-N 116.322 -0.399 . . . . 54.54 112.14 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -97.33 102.35 14.11 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 108.952 -0.759 . . . . 73.01 108.952 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -157.77 122.65 4.38 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 107.114 -1.439 . . . . 73.04 107.114 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -65.98 100.35 0.57 Allowed 'General case' 0 C--N 1.351 0.639 0 O-C-N 123.868 0.73 . . . . 72.04 110.222 -174.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -74.8 -54.26 7.64 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.246 -0.888 . . . . 63.22 110.167 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -77.25 90.45 3.73 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.129 -0.693 . . . . 70.15 109.129 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -68.73 86.92 0.33 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.516 0.726 . . . . 75.04 110.082 177.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -83.23 90.76 7.15 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.419 -0.81 . . . . 71.11 109.323 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -77.02 79.82 3.55 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.827 -0.624 . . . . 74.34 109.359 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 mt -131.17 89.14 2.69 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.875 0.87 . . . . 74.51 108.943 175.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -102.54 22.84 12.86 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.016 0.926 . . . . 72.24 109.701 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -78.73 66.33 4.2 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.432 1.093 . . . . 75.33 108.665 171.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -99.75 119.88 38.84 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.014 -0.994 . . . . 71.41 109.683 -170.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -71.87 79.03 0.88 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 106.017 -1.845 . . . . 72.41 106.017 162.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -78.26 80.92 4.65 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 114.616 -1.175 . . . . 71.25 111.416 -157.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.2 tpp -97.11 139.55 32.93 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 106.882 -1.525 . . . . 73.32 106.882 168.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -65.14 141.05 58.83 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 109.748 -0.464 . . . . 72.03 109.748 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.87 162.54 23.92 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.021 0.529 . . . . 74.5 110.133 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.06 -1.34 4.08 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.493 0.717 . . . . 73.22 112.718 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 pp -51.31 -28.71 12.8 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 124.122 0.969 . . . . 72.11 112.309 176.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.537 ' HB3' HD12 ' A' ' 66' ' ' LEU . 61.4 mt -56.21 -57.32 12.69 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 109.914 -0.402 . . . . 72.3 109.914 172.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.3 tt0 -65.34 -33.03 75.02 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.535 -1.211 . . . . 73.21 110.818 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -63.8 -37.52 87.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.637 0.775 . . . . 73.1 110.09 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.86 -30.02 40.2 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 115.847 -0.615 . . . . 74.14 110.161 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -61.8 -46.85 87.75 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.376 0.423 . . . . 72.32 109.864 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 58.5 mm-40 -62.51 -36.17 81.7 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.029 0.83 . . . . 75.31 110.483 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.08 -47.62 76.63 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.09 -0.959 . . . . 72.31 110.739 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.466 ' HB2' HD11 ' A' ' 62' ' ' LEU . 17.8 m-30 -67.04 -37.99 85.09 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.949 0.5 . . . . 74.3 110.735 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.88 -38.74 92.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.114 0.965 . . . . 75.42 110.842 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.58 -50.6 64.53 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.456 0.473 . . . . 74.44 109.736 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 HG12 ' A' ' 39' ' ' ILE . 64.4 mt -61.55 -30.19 70.49 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.028 0.931 . . . . 74.14 111.144 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -60.91 -17.54 51.43 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.174 1.39 . . . . 75.11 112.21 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.17 -30.86 66.74 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.378 0.671 . . . . 74.01 111.457 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -26.57 6.95 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.984 0.514 . . . . 74.55 110.856 171.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.28 50.28 3.69 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 109.505 -1.438 . . . . 73.0 109.505 -172.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.5 m -55.76 157.82 3.98 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.405 1.482 . . . . 75.23 112.981 -175.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 5.0 pt-20 -58.59 86.54 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.724 0.81 . . . . 74.33 110.786 167.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.558 ' HA ' ' HG ' ' A' ' 87' ' ' SER . 39.6 mt -94.18 110.37 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 109.072 -0.714 . . . . 64.04 109.072 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 62.1 t -114.06 104.89 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 108.951 -0.759 . . . . 74.22 108.951 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.568 HG23 ' HB3' ' A' ' 65' ' ' LEU . 57.3 t -93.15 109.79 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 N-CA-C 108.32 -0.993 . . . . 72.11 108.32 178.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -120.87 107.04 12.22 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.792 0.837 . . . . 71.2 108.839 -172.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 21.6 t -99.83 102.41 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.566 0.746 . . . . 75.14 109.733 -170.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.598 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 47.6 m-70 -91.65 97.2 10.88 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.617 0.767 . . . . 72.43 109.613 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.425 HG21 ' HG2' ' A' ' 76' ' ' GLU . 6.8 mt -117.7 113.26 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.308 0.643 . . . . 73.02 110.151 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 50.16 28.49 3.1 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.409 1.484 . . . . 72.11 113.517 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.77 -34.13 4.18 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 122.365 -0.209 . . . . 73.13 112.977 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -79.79 145.93 32.56 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.765 0.426 . . . . 71.22 110.369 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -121.59 121.18 36.83 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.857 0.863 . . . . 74.45 109.04 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 22.9 t70 -104.17 111.98 24.81 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.985 -1.117 . . . . 71.14 107.985 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -104.97 116.86 32.67 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.727 0.411 . . . . 74.32 110.551 -172.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.3 mt -117.43 113.29 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 107.813 -1.18 . . . . 64.15 107.813 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HG2' HG12 ' A' ' 40' ' ' VAL . 47.5 mtm180 -112.33 112.1 23.44 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 109.48 -0.563 . . . . 74.5 109.48 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.407 ' HA ' HH21 ' A' ' 55' ' ' ARG . 30.8 m -131.13 152.24 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.806 1.242 . . . . 71.52 109.087 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.528 ' HG3' ' HA ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -121.9 -85.33 0.66 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.132 -0.692 . . . . 75.5 109.132 171.628 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.68 90.86 8.41 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 108.712 -0.847 . . . . 73.11 108.712 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.6 pp -117.15 174.03 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 114.421 -1.263 . . . . 74.23 109.994 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.2 m -97.36 175.61 6.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.218 0.607 . . . . 75.55 111.359 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HD3' ' H ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -73.28 -35.01 66.09 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.012 0.525 . . . . 74.41 112.011 -174.15 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -81.39 -25.14 36.51 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.927 0.394 . . . . 75.32 109.996 174.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -73.69 -37.45 65.19 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.059 -0.518 . . . . 55.11 111.501 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' A' ' 57' ' ' ILE . 4.5 pp -72.3 -24.05 61.27 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 122.378 -0.201 . . . . 73.14 110.853 176.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -57.47 -34.88 69.48 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.544 168.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 25.3 mmmt -63.21 -33.94 76.57 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 119.159 -0.448 . . . . 75.2 110.841 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.568 ' HB3' HG23 ' A' ' 41' ' ' VAL . 85.2 mt -56.59 -47.4 79.65 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 123.815 0.697 . . . . 74.34 111.101 -175.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 22' ' ' LEU . 3.7 pp -83.15 -27.09 30.34 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.711 -1.131 . . . . 63.21 111.255 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 53.3 mt-10 -70.24 -26.4 63.82 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.212 0.205 . . . . 64.45 111.374 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 1.3 mmp_? -65.51 -42.49 92.03 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 108.814 -0.81 . . . . 75.3 108.814 172.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.29 -47.82 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.003 0.921 . . . . 64.12 111.263 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 19.6 ptt180 -59.05 -37.67 77.58 Favored 'General case' 0 C--N 1.364 1.224 0 O-C-N 123.782 0.676 . . . . 75.14 109.971 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' HB3' ' NH2' ' A' ' 75' ' ' ARG . 44.4 mt-10 -58.89 -41.93 88.33 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.386 0.674 . . . . 71.1 110.58 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 69.4 mmtt -66.44 -53.73 32.15 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.911 0.757 . . . . 74.42 109.409 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.9 pp -66.35 -31.95 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 112.035 0.383 . . . . 72.03 112.035 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -64.3 -47.92 77.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.676 0.39 . . . . 74.22 110.352 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.493 ' NH2' ' HB3' ' A' ' 71' ' ' GLU . 6.8 ptp180 -74.29 -33.9 63.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.313 0.486 . . . . 74.12 112.313 -172.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -79.98 -53.74 6.45 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.196 0.198 . . . . 70.5 110.79 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.2 35.01 68.35 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.345 0.403 . . . . 74.41 113.641 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.4 t -99.81 -163.73 1.06 Allowed 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.313 1.045 . . . . 74.44 109.578 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 m -131.45 51.75 2.12 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.148 0.579 . . . . 75.5 110.26 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -157.26 101.35 1.89 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.749 -0.834 . . . . 73.34 108.749 171.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.83 140.37 39.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 123.978 0.911 . . . . 74.52 110.167 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.598 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 11.1 tp10 -143.08 139.17 30.36 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.015 1.326 . . . . 72.14 107.868 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.508 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 63.3 t -132.43 109.73 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.436 -0.949 . . . . 74.14 108.436 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -103.24 109.0 20.44 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.148 0.579 . . . . 74.13 109.652 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -93.8 123.54 45.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 107.519 -1.289 . . . . 75.33 107.519 170.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 25.9 m-70 -114.36 112.71 23.49 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.375 -1.343 . . . . 72.1 107.375 -177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.558 ' HG ' ' HA ' ' A' ' 39' ' ' ILE . 20.3 m -149.34 123.05 9.23 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.312 0.645 . . . . 74.05 110.704 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.22 21.04 79.42 Favored Glycine 0 C--N 1.348 1.25 0 O-C-N 124.058 0.849 . . . . 42.41 113.052 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.37 -20.37 46.84 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 120.04 -0.311 . . . . 75.22 113.075 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -83.38 142.06 31.3 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.096 0.558 . . . . 74.24 110.154 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.2 m -124.62 116.48 22.47 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.391 0.676 . . . . 74.21 109.617 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -90.1 117.08 28.61 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.875 0.87 . . . . 74.11 108.964 173.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.2 p -97.46 104.65 16.69 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.496 0.718 . . . . 74.23 110.505 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.508 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 87.5 m-85 -96.79 103.22 15.13 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.482 -0.932 . . . . 71.41 108.482 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -111.89 161.08 16.78 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 124.809 1.243 . . . . 72.41 109.38 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -50.33 140.97 12.5 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.0 0.92 . . . . 73.34 112.242 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt . . . . . 0 CA--C 1.558 1.279 0 CA-C-N 114.775 -1.102 . . . . 72.02 110.967 -171.778 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.558 0.218 . . . . 72.52 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.06 -116.92 4.34 Favored Glycine 0 C--N 1.347 1.157 0 CA-C-N 115.654 -0.703 . . . . 70.03 112.618 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -72.43 85.75 1.13 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.663 0.785 . . . . 74.31 111.621 -175.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -157.26 76.51 0.84 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.204 0.602 . . . . 75.53 109.446 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -83.0 65.09 7.95 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.542 0.687 . . . . 73.25 111.184 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -161.66 79.07 0.56 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.781 -0.822 . . . . 74.3 108.781 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -65.35 84.91 0.06 Allowed 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 122.131 0.967 . . . . 72.11 110.803 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -85.59 91.67 8.33 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.068 -0.969 . . . . 64.34 111.657 -169.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -88.45 84.19 6.81 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.23 -1.396 . . . . 65.04 107.23 165.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.21 -30.52 64.62 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.32 1.048 . . . . 73.32 112.155 -169.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.6 mt 62.21 26.76 16.07 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.188 0.995 . . . . 75.22 109.88 -171.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -126.22 -160.71 1.0 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.535 1.534 . . . . 75.32 109.458 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -78.85 113.17 16.72 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 109.006 -0.739 . . . . 74.22 109.006 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -17.04 62.72 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.957 0.503 . . . . 75.51 111.587 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.3 m 57.69 71.8 0.56 Allowed 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.514 1.526 . . . . 73.41 112.196 168.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 59.19 37.23 23.95 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.999 0.92 . . . . 71.22 111.301 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 62.86 15.47 8.29 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 124.982 1.313 . . . . 74.55 112.856 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 m -82.4 -26.44 32.8 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.279 0.631 . . . . 74.13 112.051 -171.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.79 82.78 0.89 Allowed 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 122.244 1.021 . . . . 71.41 111.416 -172.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -153.24 -57.16 0.13 Allowed 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.405 -1.331 . . . . 71.22 107.405 171.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 4.5 pp -63.03 -32.62 74.02 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 124.063 0.852 . . . . 71.2 110.04 175.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -54.04 -56.84 14.18 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.14 0.9 . . . . 75.41 109.728 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 40.1 tt0 -65.56 -32.79 74.57 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 119.323 -0.37 . . . . 74.54 111.522 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 61.3 mtp180 -61.01 -32.27 71.86 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.047 0.385 . . . . 73.45 110.8 176.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -83.16 -31.24 27.26 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 109.436 -0.579 . . . . 74.11 109.436 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.58 ' HB2' HD21 ' A' ' 66' ' ' LEU . 67.6 ttp85 -64.97 -41.29 95.57 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 122.717 0.407 . . . . 74.51 109.95 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.6 mm-40 -61.34 -39.09 89.28 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.902 0.751 . . . . 62.43 109.548 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 58.9 tp -62.33 -44.87 95.48 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.265 -0.879 . . . . 73.53 110.521 174.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.494 ' HB3' HD22 ' A' ' 62' ' ' LEU . 25.7 m-85 -72.36 -26.69 62.01 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.997 0.519 . . . . 73.22 111.954 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 11.7 mm-40 -78.18 -24.55 47.16 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.465 0.706 . . . . 72.31 109.252 175.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -75.75 -32.19 59.88 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.078 0.951 . . . . 74.13 109.754 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 83.8 mt -84.35 -18.07 37.38 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 114.582 -1.19 . . . . 71.15 110.948 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -54.38 -29.88 50.08 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.516 1.127 . . . . 72.34 111.821 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.64 -36.49 80.93 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.002 0.521 . . . . 64.01 111.945 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.42 -44.16 5.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.789 0.436 . . . . 75.35 110.49 -178.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.41 39.15 97.41 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.968 0.793 . . . . 61.33 113.204 -175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 t -71.96 -173.69 1.07 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.765 0.826 . . . . 75.4 110.822 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.9 pm0 -63.5 97.29 0.14 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.359 0.6 . . . . 75.22 110.286 173.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.8 mt -95.56 109.64 22.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.501 -1.296 . . . . 74.52 107.501 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.528 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 41.5 t -112.65 106.02 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 108.296 -1.001 . . . . 75.44 108.296 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.1 109.79 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.252 -1.018 . . . . 73.4 108.252 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -116.84 105.86 12.83 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.897 0.879 . . . . 65.45 109.282 -174.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 59.7 t -98.07 103.39 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.454 1.102 . . . . 75.45 108.858 -170.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 63.8 m170 -87.92 104.67 16.83 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.722 0.809 . . . . 74.5 109.332 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 40.3 mt -127.2 123.59 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 109.02 -0.733 . . . . 74.5 109.02 173.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 65.36 19.04 11.55 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.222 1.009 . . . . 64.53 112.874 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.96 -19.94 45.09 Favored Glycine 0 C--N 1.35 1.324 0 C-N-CA 123.061 0.362 . . . . 71.35 112.934 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 43.8 mt-10 -83.27 152.05 25.34 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.918 0.887 . . . . 74.44 110.618 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -121.68 129.62 52.89 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 124.365 1.066 . . . . 74.42 109.539 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 24.6 t70 -107.07 107.35 18.31 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.226 -1.398 . . . . 73.51 107.226 170.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -115.31 115.4 26.57 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.958 0.503 . . . . 63.31 109.951 -167.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 10.6 mt -119.3 107.56 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 108.677 -0.86 . . . . 64.34 108.677 -175.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 126.89 34.28 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.966 -1.124 . . . . 75.21 107.966 174.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.44 HG12 HD12 ' A' ' 65' ' ' LEU . 4.8 p -139.67 139.78 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 109.143 -0.688 . . . . 72.5 109.143 172.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 35.2 mtp180 -135.72 133.17 37.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.527 0.731 . . . . 74.14 109.479 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.3 m120 59.2 80.24 0.2 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.742 1.217 . . . . 74.14 111.271 170.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 pp -144.32 166.34 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.362 0.665 . . . . 75.11 112.222 -173.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.515 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 13.2 m -83.99 173.27 11.3 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.275 1.03 . . . . 64.14 110.564 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.593 ' HA ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.87 -24.37 55.72 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 111.996 0.369 . . . . 72.2 111.996 -178.782 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -75.31 -18.78 59.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.506 0.322 . . . . 63.21 111.051 172.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.515 ' HG3' ' HB2' ' A' ' 58' ' ' SER . 27.9 mt-10 -89.56 -42.37 11.46 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.359 0.663 . . . . 74.25 110.463 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.593 ' HG ' ' HA ' ' A' ' 59' ' ' LYS . 4.3 pp -69.17 -21.02 64.01 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 122.389 -0.194 . . . . 73.31 110.746 173.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -36.57 63.22 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 124.151 0.98 . . . . 75.23 110.155 171.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 14.1 mmmm -62.94 -31.01 72.01 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.612 -0.722 . . . . 72.43 110.676 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.443 ' O ' HG13 ' A' ' 69' ' ' ILE . 68.2 mt -61.12 -46.1 91.97 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.665 0.386 . . . . 74.5 110.035 176.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 26' ' ' ARG . 7.5 mp -58.44 -47.51 83.72 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 124.174 0.921 . . . . 71.34 110.8 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 10.0 pt-20 -70.62 -29.64 66.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.771 -0.649 . . . . 62.02 111.115 -175.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 12.9 mmp_? -64.4 -36.87 85.54 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.665 0.211 . . . . 73.44 110.57 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 65' ' ' LEU . 67.1 mt -66.79 -48.13 80.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 124.172 0.92 . . . . 75.33 109.942 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 6.9 ptm180 -60.53 -36.38 78.27 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 123.224 0.328 . . . . 73.21 110.571 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 30.4 mm-40 -59.41 -37.83 79.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.341 0.256 . . . . 74.3 110.75 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -75.11 -50.3 16.81 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.766 0.426 . . . . 74.11 110.541 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.4 pp -65.22 -29.21 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 116.242 -0.435 . . . . 74.31 111.27 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -76.48 -52.09 10.49 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.526 0.731 . . . . 73.12 110.814 176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -61.27 -44.81 96.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.965 0.906 . . . . 74.35 111.212 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.6 -41.05 69.41 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.648 0.779 . . . . 65.03 110.284 174.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.21 44.23 97.99 Favored Glycine 0 C--N 1.35 1.35 0 N-CA-C 111.456 -0.658 . . . . 60.01 111.456 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 t -123.32 150.49 43.54 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.762 0.825 . . . . 75.3 110.942 -168.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 m -97.85 2.98 49.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.03 0.932 . . . . 54.33 111.039 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 7.1 tp10 -84.61 41.42 0.85 Allowed 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.401 1.08 . . . . 62.54 110.037 -177.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.5 t -99.92 129.51 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.061 0.944 . . . . 70.34 110.406 -170.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 36.2 tt0 -139.04 106.55 5.57 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.303 -0.999 . . . . 74.41 108.303 174.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.67 113.64 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 108.398 -0.964 . . . . 74.15 108.398 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.431 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -101.27 106.39 17.58 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.028 -1.101 . . . . 72.33 108.028 -178.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.12 109.16 21.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.849 -1.167 . . . . 70.23 107.849 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.528 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 88.1 m-70 -99.5 113.1 25.28 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.818 -1.179 . . . . 75.25 107.818 -178.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.1 t -153.38 110.5 3.46 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.254 0.479 . . . . 72.31 110.247 -173.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.65 28.44 73.54 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 123.769 0.668 . . . . 45.32 112.936 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.1 -2.45 86.93 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-O 120.175 -0.236 . . . . 70.43 113.673 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -94.58 124.08 38.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.819 0.848 . . . . 74.31 109.339 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.1 m -115.87 112.47 21.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 74.44 110.133 -177.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -101.39 121.99 42.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.774 0.829 . . . . 72.52 109.249 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.5 p -104.01 115.82 31.12 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.97 0.908 . . . . 65.21 110.396 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -104.45 112.07 24.98 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.944 0.898 . . . . 75.53 110.168 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -109.36 148.37 31.2 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.164 0.986 . . . . 71.34 110.811 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -95.7 133.5 39.71 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 108.759 -0.83 . . . . 73.31 108.759 166.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt . . . . . 0 CA--C 1.547 0.838 0 C-N-CA 123.937 0.895 . . . . 74.12 108.681 176.01 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.562 -0.162 . . . . 72.34 110.562 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 53.94 59.02 10.48 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 115.081 0.792 . . . . 64.24 115.081 170.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -85.54 87.64 7.42 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 122.328 -0.513 . . . . 72.2 110.211 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -167.94 98.1 0.45 Allowed 'General case' 0 C--N 1.353 0.733 0 O-C-N 123.508 0.505 . . . . 73.23 109.833 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -76.87 96.23 4.27 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 121.153 0.501 . . . . 73.42 111.061 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -101.47 114.37 28.32 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.348 1.059 . . . . 74.33 108.249 173.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -78.32 122.52 25.85 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.543 0.337 . . . . 71.44 110.759 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -77.05 -8.01 56.69 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.366 1.066 . . . . 75.42 110.417 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.42 101.8 2.04 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.48 1.112 . . . . 71.34 109.954 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -83.56 89.54 7.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.707 0.803 . . . . 72.33 109.881 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.88 98.47 2.47 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.262 0.625 . . . . 73.43 109.321 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -133.24 52.86 2.05 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.367 1.067 . . . . 72.32 109.043 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -116.26 -68.16 0.94 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.752 0.821 . . . . 74.5 109.087 -177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -87.93 -4.63 58.81 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.154 0.982 . . . . 75.13 110.995 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 m -67.32 135.52 53.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.808 0.843 . . . . 71.14 110.041 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -133.26 -70.79 0.53 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.353 -0.98 . . . . 65.44 108.353 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.8 ptp -174.22 -179.24 1.59 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.468 1.107 . . . . 72.41 109.514 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.431 HG23 HD11 ' A' ' 73' ' ' ILE . 9.9 t -143.22 31.37 1.37 Allowed 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.74 0.781 . . . . 73.32 110.321 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -72.41 80.92 1.04 Allowed 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.303 -0.862 . . . . 71.42 111.078 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.96 -57.49 0.03 OUTLIER 'General case' 0 C--O 1.239 0.551 0 N-CA-C 106.64 -1.615 . . . . 53.33 106.64 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.85 -47.35 86.78 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.444 -0.798 . . . . 73.32 109.117 169.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.3 mt -56.21 -39.29 72.25 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.326 -1.306 . . . . 72.05 111.567 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 8.9 tp10 -55.07 -42.02 72.23 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.321 1.013 . . . . 75.51 110.991 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -61.72 -34.36 75.66 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.332 -0.849 . . . . 73.0 110.944 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.51 -32.28 24.02 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.406 -0.816 . . . . 74.53 110.162 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -67.92 -37.96 82.32 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.147 0.579 . . . . 73.35 110.692 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 87.3 mm-40 -62.77 -40.02 95.98 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.303 -0.862 . . . . 73.12 110.342 175.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.81 -41.82 95.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.361 -0.836 . . . . 74.41 111.164 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' HB2' HD12 ' A' ' 62' ' ' LEU . 22.6 m-30 -65.23 -33.38 75.87 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.903 -0.589 . . . . 75.14 110.611 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.16 -37.72 84.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.76 0.824 . . . . 64.53 111.593 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 48.3 mt-10 -61.63 -37.24 83.24 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.497 0.719 . . . . 75.43 110.88 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 mt -81.53 -28.43 33.97 Favored 'General case' 0 CA--C 1.561 1.399 0 CA-C-O 121.552 0.691 . . . . 75.15 110.927 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -62.14 -35.26 78.24 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.44 1.096 . . . . 74.04 111.409 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.3 pt-20 -61.79 -28.9 69.79 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 123.399 0.437 . . . . 72.31 111.777 -177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -108.81 -13.87 14.69 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.034 -0.53 . . . . 73.43 110.781 -170.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.92 44.47 68.13 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.813 0.696 . . . . 65.13 112.275 171.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.0 t -101.26 171.23 7.72 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 109.302 -0.629 . . . . 73.32 109.302 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -80.11 142.16 35.09 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.812 0.339 . . . . 73.45 111.012 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.9 mt -117.1 112.56 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.499 -0.926 . . . . 74.41 108.499 176.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.608 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 73.3 t -101.49 101.67 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 108.818 -0.808 . . . . 74.31 108.818 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.88 111.32 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.1 -0.704 . . . . 74.21 109.1 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 43.7 tt0 -109.07 106.71 16.75 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.031 0.933 . . . . 72.45 109.284 -175.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 58.3 t -89.18 104.48 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 124.422 1.089 . . . . 74.34 109.508 -177.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.455 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 53.0 m170 -90.77 113.76 25.97 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.698 0.799 . . . . 74.11 108.868 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.433 HG23 ' HG3' ' A' ' 76' ' ' GLU . 23.8 mt -133.21 110.3 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 109.351 -0.611 . . . . 61.44 109.351 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.469 HD21 ' N ' ' A' ' 46' ' ' ASN . 0.7 OUTLIER 62.93 25.8 15.23 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.139 0.976 . . . . 64.13 112.297 170.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.9 -17.8 35.03 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 116.185 -0.461 . . . . 71.24 113.189 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 38.2 mt-10 -81.68 145.21 30.66 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.29 0.636 . . . . 70.14 110.449 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -123.39 128.82 50.4 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.361 1.064 . . . . 70.54 108.983 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 31.6 t70 -127.96 112.33 14.54 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.494 0.718 . . . . 74.14 109.354 178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -102.63 120.11 39.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.149 0.58 . . . . 75.05 109.856 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.7 mt -117.76 104.92 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.343 -0.984 . . . . 73.24 108.343 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.452 ' HG2' HG23 ' A' ' 40' ' ' VAL . 75.7 mtp180 -94.27 115.1 27.3 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.575 -0.898 . . . . 75.04 108.575 176.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' HB ' HG23 ' A' ' 57' ' ' ILE . 6.8 m -112.05 105.37 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 108.349 -0.982 . . . . 65.22 108.349 170.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -95.82 107.59 19.85 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.347 -0.612 . . . . 75.14 109.347 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER 66.7 88.52 0.11 Allowed 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.404 1.065 . . . . 74.33 109.597 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.0 pp -126.93 157.48 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 115.441 -0.799 . . . . 73.44 111.108 -175.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -101.26 -177.45 3.45 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.64 0.776 . . . . 70.2 112.026 -172.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -56.76 -42.49 79.47 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.006 1.323 . . . . 73.52 113.429 -170.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -31.34 18.74 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.526 0.731 . . . . 73.54 110.938 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.65 -37.73 87.36 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.869 -0.605 . . . . 62.11 111.567 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.3 pp -66.35 -24.15 66.46 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.853 0.461 . . . . 75.43 111.645 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.504 ' HA ' HD23 ' A' ' 66' ' ' LEU . 96.3 mttt -63.38 -25.86 68.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.428 0.691 . . . . 73.3 111.333 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 11.3 mmpt? -68.36 -22.68 64.65 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.738 -0.665 . . . . 75.5 112.115 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.559 HD21 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -70.77 -53.29 16.03 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.899 0.48 . . . . 71.33 111.073 -177.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -63.56 -30.49 71.6 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.441 0.463 . . . . 75.44 110.961 173.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -64.89 -38.44 90.99 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 123.101 0.56 . . . . 74.3 111.111 172.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 3.3 mmp_? -71.44 -22.62 61.81 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.772 0.429 . . . . 75.13 111.791 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 66' ' ' LEU . 63.6 mt -82.07 -47.57 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.813 0.845 . . . . 75.42 110.147 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 6.5 ppt_? -60.72 -36.32 78.54 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.135 -0.939 . . . . 75.53 111.164 -173.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -30.75 69.48 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 109.112 -0.699 . . . . 74.1 109.112 -176.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 33.6 mmtp -66.03 -57.49 7.63 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 108.423 -0.954 . . . . 73.45 108.423 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.438 HG22 HG23 ' A' ' 81' ' ' VAL . 2.4 pp -63.75 -26.59 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 O-C-N 123.461 0.476 . . . . 75.11 112.156 -172.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -78.84 -38.69 37.39 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.244 0.618 . . . . 74.21 112.219 175.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -75.27 -44.25 46.89 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 122.961 0.504 . . . . 71.31 111.878 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' HG3' HG23 ' A' ' 45' ' ' ILE . 24.3 mm-40 -72.05 -45.36 61.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.115 0.566 . . . . 71.33 109.656 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.73 -5.14 32.35 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.136 -0.938 . . . . 63.4 113.508 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.9 p -79.66 143.44 34.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.971 0.908 . . . . 75.12 109.992 -172.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.6 t -76.4 -30.33 57.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.05 0.94 . . . . 74.04 111.097 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.5 84.98 1.13 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.621 0.769 . . . . 74.32 110.735 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 73' ' ' ILE . 56.9 t -135.51 133.18 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.27 1.028 . . . . 75.01 109.811 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -142.59 117.41 9.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.798 1.239 . . . . 72.2 108.992 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.2 t -99.45 117.61 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.424 0.69 . . . . 63.1 109.3 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.438 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER -101.93 108.07 19.41 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.149 -1.056 . . . . 73.33 108.149 177.637 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.8 t -92.58 108.56 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 107.172 -1.418 . . . . 74.15 107.172 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.608 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 62.0 m-70 -99.76 128.91 45.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.096 0.958 . . . . 75.42 108.61 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 t -157.64 112.32 2.67 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.109 -0.7 . . . . 73.1 109.109 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.47 26.45 71.8 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 123.689 0.618 . . . . 43.13 113.124 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.24 -18.31 49.27 Favored Glycine 0 C--N 1.349 1.255 0 C-N-CA 123.056 0.36 . . . . 74.45 113.341 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 21.8 mt-30 -79.25 142.81 35.87 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.87 0.868 . . . . 74.21 109.754 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.8 m -131.73 124.7 30.28 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 122.85 0.46 . . . . 73.41 109.867 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 -106.15 113.52 27.1 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.828 -1.175 . . . . 75.33 107.828 172.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.7 p -96.2 102.69 14.52 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.268 0.627 . . . . 64.42 109.933 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -91.12 105.67 17.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.638 -1.245 . . . . 74.34 107.638 174.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -118.89 131.85 56.07 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 109.217 -0.66 . . . . 72.25 109.217 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -80.44 107.9 13.62 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 107.177 -1.416 . . . . 73.52 107.177 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp . . . . . 0 C--O 1.248 1.02 0 C-N-CA 123.723 0.809 . . . . 74.21 109.936 -170.225 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 111.644 0.239 . . . . 74.01 111.644 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.97 64.62 1.2 Allowed Glycine 0 C--N 1.35 1.315 0 CA-C-N 117.025 -0.08 . . . . 72.52 112.925 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -106.13 115.33 30.05 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.048 -0.723 . . . . 74.21 109.048 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -129.59 138.79 51.47 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 123.95 0.9 . . . . 74.53 109.107 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -74.75 91.77 2.42 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.183 -0.673 . . . . 73.35 109.183 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -77.52 86.54 3.86 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 107.358 -1.349 . . . . 72.11 107.358 172.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -56.95 138.12 54.52 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.213 -0.903 . . . . 72.12 111.397 -170.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -76.38 167.22 22.25 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.479 -0.782 . . . . 72.01 110.887 -176.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.72 153.01 28.08 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.304 -0.862 . . . . 73.34 110.257 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -103.24 143.08 33.11 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.511 0.724 . . . . 75.43 109.999 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' HB2' ' HD2' ' A' ' 13' ' ' PHE . 2.6 pt? -68.24 139.99 56.03 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.737 0.648 . . . . 74.22 110.226 176.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -102.38 17.59 23.16 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.763 0.825 . . . . 73.22 110.752 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' HD2' ' HB2' ' A' ' 11' ' ' LEU . 96.3 m-85 -74.83 143.49 43.89 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.326 0.65 . . . . 74.14 109.857 175.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -64.89 -29.65 70.6 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.078 0.862 . . . . 64.22 110.979 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.7 p -70.78 78.53 0.61 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.662 0.785 . . . . 75.31 110.45 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -87.44 79.32 8.45 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.072 -1.084 . . . . 73.44 108.072 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 mtt -77.96 148.37 34.49 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.028 -0.987 . . . . 74.2 110.256 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.581 HG22 HD12 ' A' ' 73' ' ' ILE . 30.9 m -73.57 150.49 41.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.254 0.622 . . . . 74.02 110.45 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.52 154.51 41.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.331 0.652 . . . . 61.31 111.535 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -80.04 15.15 1.57 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.939 0.896 . . . . 75.4 113.178 -175.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -64.5 -22.29 66.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.907 0.483 . . . . 72.41 110.808 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.475 ' HB3' HD23 ' A' ' 66' ' ' LEU . 67.5 mt -56.7 -57.78 10.92 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 124.018 0.927 . . . . 73.24 111.395 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 38.6 tt0 -66.62 -21.3 66.12 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.782 -174.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -65.17 -37.44 87.38 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.982 0.513 . . . . 72.22 109.954 174.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.28 -34.83 63.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.87 -0.605 . . . . 74.42 110.409 172.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HB2' HD22 ' A' ' 66' ' ' LEU . 6.9 tmm_? -61.1 -36.67 80.31 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.118 0.567 . . . . 72.54 110.167 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 72.4 mm-40 -60.12 -45.65 92.28 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.321 0.581 . . . . 74.2 110.354 175.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.0 -37.73 88.63 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.665 -1.152 . . . . 75.35 110.94 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.422 ' HB3' HD23 ' A' ' 62' ' ' LEU . 21.7 m-30 -75.2 -28.18 59.88 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.316 0.647 . . . . 73.22 110.804 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HG3' HH11 ' A' ' 26' ' ' ARG . 37.5 mm-40 -69.73 -32.27 70.73 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.167 0.587 . . . . 65.24 110.666 171.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 40.4 tt0 -73.28 -34.81 65.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.625 0.77 . . . . 75.35 110.963 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 93.5 mt -79.21 -19.88 49.69 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 122.746 0.418 . . . . 71.03 110.418 175.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -66.74 -23.33 66.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.078 0.551 . . . . 74.04 111.072 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 1.9 pp20? -69.07 -24.22 64.13 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-O 119.778 -0.153 . . . . 73.51 111.054 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -114.82 -9.48 12.5 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 117.592 0.178 . . . . 74.12 110.84 174.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.92 27.83 67.58 Favored Glycine 0 C--N 1.351 1.367 0 C-N-CA 123.858 0.742 . . . . 74.32 114.858 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 t -73.72 179.9 3.95 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.422 0.689 . . . . 54.43 111.781 -171.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 9.8 pt-20 -71.92 113.17 8.67 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.01 -0.996 . . . . 63.34 110.828 174.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.456 HD12 HD13 ' A' ' 57' ' ' ILE . 61.3 mt -97.24 119.24 45.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.575 -0.898 . . . . 75.31 108.575 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 18.2 t -108.03 103.01 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.572 -0.899 . . . . 61.24 108.572 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' ' 65' ' ' LEU . 45.2 t -94.81 138.44 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 108.114 -1.069 . . . . 73.32 108.114 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.554 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 38.7 tt0 -138.3 108.29 6.36 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.978 0.354 . . . . 72.33 110.649 -173.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 41.7 t -88.88 119.4 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.579 0.752 . . . . 74.54 109.963 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -104.99 111.43 24.21 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.856 0.863 . . . . 75.52 109.924 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.1 mt -137.16 114.17 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 109.498 -0.556 . . . . 74.34 109.498 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.36 16.01 5.92 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.111 1.364 . . . . 65.5 113.683 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.94 -15.83 13.57 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 119.829 -0.429 . . . . 74.14 113.198 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.93 117.02 21.2 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.209 0.604 . . . . 74.04 110.344 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -96.19 122.61 39.23 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 108.579 -0.897 . . . . 75.44 108.579 170.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.544 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 36.0 t70 -110.8 109.27 19.4 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.353 -0.98 . . . . 75.41 108.353 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -92.72 131.94 37.36 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.389 -0.596 . . . . 71.12 109.389 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 mt -131.39 105.0 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 106.636 -1.616 . . . . 74.33 106.636 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.543 ' HG2' HG22 ' A' ' 40' ' ' VAL . 68.2 mtm180 -103.54 127.53 50.93 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.828 -0.805 . . . . 73.54 108.828 178.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -139.45 145.98 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 123.074 0.55 . . . . 71.04 109.635 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.43 ' HG2' ' HB3' ' A' ' 38' ' ' GLU . 68.5 mtp85 -128.14 142.94 51.04 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.215 0.606 . . . . 73.41 110.096 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 m120 51.89 77.26 0.15 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 124.9 1.375 . . . . 64.3 111.824 169.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.558 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.8 pp -140.48 145.59 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.475 0.71 . . . . 75.22 111.056 -173.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -93.79 -175.63 3.8 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.932 0.893 . . . . 64.53 111.442 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 60.0 pttt -52.33 -48.65 65.34 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.259 1.024 . . . . 75.22 112.369 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.54 -25.11 62.09 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.391 0.676 . . . . 74.2 111.427 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -83.54 -41.34 18.05 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.525 0.73 . . . . 73.14 111.119 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.558 ' HB3' HD11 ' A' ' 57' ' ' ILE . 4.6 pp -69.83 -20.47 63.43 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.404 -0.362 . . . . 75.14 110.786 176.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 11.2 mmmm -55.3 -29.81 58.97 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.325 0.65 . . . . 75.31 112.14 170.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -64.53 -32.82 74.63 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 123.363 0.414 . . . . 65.42 111.288 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.462 ' HB3' HG23 ' A' ' 41' ' ' VAL . 62.9 mt -63.62 -37.56 87.8 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.545 0.738 . . . . 74.44 110.03 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 26' ' ' ARG . 6.3 mp -65.71 -46.74 77.83 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 114.773 -1.103 . . . . 73.44 109.834 176.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 43.8 mt-10 -70.88 -23.11 62.24 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.463 -0.79 . . . . 61.2 112.005 -177.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -63.86 -41.57 97.76 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.42 0.688 . . . . 75.22 110.898 173.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.7 mt -65.5 -42.39 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 115.112 -0.949 . . . . 73.23 109.546 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 2.3 ptp180 -61.01 -38.8 87.35 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 123.781 0.675 . . . . 74.54 110.474 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 44.1 mt-10 -59.03 -35.5 73.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.409 0.684 . . . . 62.34 110.776 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HA ' ' HG2' ' A' ' 75' ' ' ARG . 17.8 mmtp -83.91 -44.45 14.24 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 116.032 -0.531 . . . . 74.22 110.926 -172.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.581 HD12 HG22 ' A' ' 18' ' ' THR . 31.8 pt -70.33 -27.17 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 116.774 -0.194 . . . . 74.05 110.893 -178.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.29 -30.14 19.86 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.224 0.61 . . . . 74.22 112.156 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' A' ' 72' ' ' LYS . 3.1 ptm180 -68.36 -35.49 77.81 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 118.871 0.76 . . . . 75.15 109.738 174.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 78' ' ' SER . 10.0 tp10 -86.95 -75.94 0.38 Allowed 'General case' 0 C--N 1.349 0.548 0 N-CA-C 109.485 -0.561 . . . . 73.4 109.485 177.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.94 -20.55 31.11 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-O 119.61 -0.55 . . . . 53.32 112.413 -175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.401 ' H ' ' HG3' ' A' ' 76' ' ' GLU . 58.4 m -62.11 143.67 56.36 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.554 0.742 . . . . 70.33 111.436 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.2 m -76.79 -5.88 50.0 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.029 0.931 . . . . 73.04 111.213 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -78.51 77.17 5.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.966 1.306 . . . . 74.01 109.497 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.01 133.76 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 115.255 -0.884 . . . . 75.23 110.597 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -128.7 124.12 34.85 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.729 1.612 . . . . 71.42 107.781 172.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.96 120.48 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 108.85 -0.796 . . . . 55.24 108.85 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -103.02 146.66 28.02 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.076 -0.712 . . . . 74.02 109.076 177.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.44 142.49 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 106.963 -1.495 . . . . 70.44 106.963 169.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.595 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 22.3 m-70 -136.02 131.05 34.46 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 107.95 -1.13 . . . . 74.41 107.95 -177.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 p -159.21 136.28 9.66 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.595 -0.52 . . . . 71.02 109.595 171.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.74 -88.38 0.29 Allowed Glycine 0 C--N 1.351 1.383 0 O-C-N 123.714 0.634 . . . . 53.54 112.272 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.79 9.27 1.18 Allowed Glycine 0 N--CA 1.47 0.965 0 N-CA-C 111.72 -0.552 . . . . 71.03 111.72 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -98.96 146.35 26.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.147 0.979 . . . . 74.52 109.38 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.5 m -138.18 122.5 18.23 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.635 0.774 . . . . 74.14 110.109 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -103.36 145.54 29.83 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.597 1.159 . . . . 72.5 108.884 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.3 p -133.0 139.69 47.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.23 0.612 . . . . 72.31 109.875 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -121.99 104.64 9.66 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.098 -1.445 . . . . 74.34 107.098 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -101.94 130.72 48.52 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.0 0.52 . . . . 75.43 110.166 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -74.54 129.92 38.62 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.351 -0.611 . . . . 72.22 109.351 168.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.979 0 C-N-CA 124.287 1.035 . . . . 74.35 110.408 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.484 1.275 0 N-CA-C 109.087 -0.708 . . . . 74.43 109.087 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.08 -150.68 19.81 Favored Glycine 0 C--N 1.343 0.925 0 N-CA-C 111.481 -0.647 . . . . 63.41 111.481 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -69.55 148.85 48.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.289 -0.634 . . . . 74.33 109.289 171.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -131.03 117.64 19.45 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.653 -0.869 . . . . 71.52 108.653 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -63.3 103.68 0.52 Allowed 'General case' 0 C--O 1.238 0.465 0 N-CA-C 108.262 -1.014 . . . . 62.14 108.262 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -82.87 153.02 25.33 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.572 -0.74 . . . . 73.44 110.532 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -72.65 92.93 1.57 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.002 -0.999 . . . . 72.43 109.134 176.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -67.31 143.97 56.13 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.701 -0.682 . . . . 74.04 109.712 170.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -72.28 152.54 42.07 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.741 -0.466 . . . . 74.34 109.741 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -127.66 103.27 7.22 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.75 -0.833 . . . . 75.42 108.75 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.6 mt -74.02 178.88 4.68 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.011 -0.737 . . . . 74.24 109.011 168.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -59.69 -58.38 8.81 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 122.625 0.37 . . . . 74.15 110.711 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 54.17 26.33 6.56 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.785 0.834 . . . . 75.54 110.978 -173.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -71.52 95.09 1.36 Allowed 'General case' 0 C--N 1.352 0.676 0 CA-C-N 115.655 -0.702 . . . . 73.52 110.636 -168.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.7 m -144.39 173.23 11.96 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 124.978 1.311 . . . . 74.34 108.94 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -25.98 64.15 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.672 -0.695 . . . . 75.41 111.024 174.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.4 ttt 56.06 32.65 20.4 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.093 1.357 . . . . 72.13 111.331 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 m -73.54 106.98 5.56 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.973 -0.558 . . . . 74.31 110.445 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -72.83 139.05 46.72 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.634 -0.712 . . . . 73.11 109.433 176.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.12 22.23 0.99 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.46 0.704 . . . . 73.35 111.881 -174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.72 -25.21 66.27 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 123.285 0.634 . . . . 71.4 110.528 166.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 70' ' ' ARG . 93.6 mt -49.52 -42.44 43.73 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.059 0.943 . . . . 73.3 111.051 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 11.2 tp10 -56.47 -44.25 80.41 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.143 0.902 . . . . 71.51 111.001 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -67.17 -33.68 75.92 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 114.922 -1.035 . . . . 74.01 111.302 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.03 -30.52 55.76 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.618 -0.512 . . . . 71.33 109.618 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.514 ' HB2' HD13 ' A' ' 66' ' ' LEU . 31.5 ttt180 -58.12 -53.61 56.26 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.246 1.018 . . . . 75.44 109.506 174.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 74.8 mm-40 -52.97 -43.73 66.62 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.777 1.298 . . . . 73.14 110.914 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -61.56 -49.29 77.26 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.511 -1.222 . . . . 75.3 111.04 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.27 -39.31 94.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.171 0.588 . . . . 71.13 111.797 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.84 -32.73 72.62 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.431 0.693 . . . . 62.51 111.141 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.81 -45.6 60.98 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.972 0.509 . . . . 71.21 110.782 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.5 mt -71.14 -20.33 62.32 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.631 0.772 . . . . 74.53 111.163 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -60.55 -19.71 58.12 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.499 1.12 . . . . 75.3 112.503 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.79 -32.4 72.68 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.261 0.624 . . . . 64.42 111.774 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -23.61 10.63 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.754 0.422 . . . . 74.54 110.359 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.66 41.12 99.86 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 123.721 0.638 . . . . 65.25 112.621 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 p -69.54 165.63 20.62 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.232 0.613 . . . . 75.44 110.989 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.11 98.21 0.29 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.938 -1.028 . . . . 73.33 110.331 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.534 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 63.7 mt -91.13 106.17 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.167 -1.42 . . . . 73.52 107.167 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 50.0 t -103.03 102.45 13.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 114.491 -1.231 . . . . 75.12 108.121 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG13 HD11 ' A' ' 69' ' ' ILE . 56.5 t -94.68 109.83 22.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 107.66 -1.237 . . . . 75.42 107.66 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -110.41 106.9 16.41 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.381 -0.97 . . . . 74.31 108.381 -173.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.588 HG11 ' HG3' ' A' ' 72' ' ' LYS . 90.1 t -102.27 117.91 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.517 1.127 . . . . 62.21 109.535 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 26.9 m-70 -118.13 116.23 26.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.454 0.702 . . . . 75.04 109.21 176.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.487 HG21 ' ND2' ' A' ' 46' ' ' ASN . 23.6 mt -126.98 122.55 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.257 0.623 . . . . 74.21 110.027 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' ND2' HG21 ' A' ' 45' ' ' ILE . 38.4 m-80 63.95 -74.52 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.759 1.623 . . . . 72.42 110.679 -171.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.71 -3.9 0.18 Allowed Glycine 0 N--CA 1.473 1.136 0 CA-C-N 115.763 -0.653 . . . . 71.34 112.772 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -89.24 143.01 27.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.834 0.854 . . . . 75.01 109.512 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -116.62 153.44 32.27 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.859 0.863 . . . . 71.12 109.818 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -149.17 115.09 5.7 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.961 -0.563 . . . . 75.44 109.627 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -99.25 125.88 44.95 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.786 0.835 . . . . 74.33 109.284 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 mt -126.39 107.23 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 107.435 -1.321 . . . . 74.42 107.435 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.5 mtm105 -112.76 106.84 15.29 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.312 0.645 . . . . 74.51 110.176 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.72 144.51 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.748 1.219 . . . . 64.22 108.628 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -115.76 -92.15 0.52 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.161 0.437 . . . . 74.24 110.108 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -97.2 46.36 1.04 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.668 0.787 . . . . 72.51 109.469 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -59.44 165.24 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 115.149 -0.932 . . . . 74.31 111.52 172.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -78.75 164.54 24.47 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 120.972 0.415 . . . . 63.21 110.718 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.05 62.29 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.276 0.63 . . . . 74.34 111.992 -174.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -88.65 -25.61 22.31 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.626 0.77 . . . . 73.34 110.665 170.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.49 -28.7 66.29 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.067 0.547 . . . . 54.24 111.097 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.624 ' HA ' HD22 ' A' ' 65' ' ' LEU . 4.6 pp -69.0 -20.15 64.15 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 112.029 0.381 . . . . 75.42 112.029 176.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -66.48 -24.43 66.42 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.849 0.46 . . . . 73.23 110.568 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 13.5 mmmm -67.38 -24.89 65.74 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 123.715 0.806 . . . . 71.15 110.882 175.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.67 -46.17 73.12 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.2 -0.667 . . . . 73.21 109.2 174.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.514 HD13 ' HB2' ' A' ' 26' ' ' ARG . 45.2 mt -61.44 -37.85 85.05 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.215 -0.902 . . . . 72.53 110.035 176.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.57 -38.25 90.34 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.916 1.286 . . . . 63.11 111.423 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 4.7 mmp_? -69.87 -49.1 55.63 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 116.303 -0.408 . . . . 74.23 110.093 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.477 HD11 HG13 ' A' ' 41' ' ' VAL . 79.8 mt -61.55 -43.62 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.477 0.711 . . . . 75.55 110.75 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.434 ' HB3' HD12 ' A' ' 22' ' ' LEU . 13.4 ptm180 -64.63 -39.52 93.85 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 116.19 -0.459 . . . . 75.21 111.278 -176.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 2.3 pp20? -70.54 -21.25 62.74 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-O 119.344 -0.36 . . . . 74.14 110.547 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.588 ' HG3' HG11 ' A' ' 43' ' ' VAL . 70.3 mmtt -68.69 -58.49 4.16 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 107.611 -1.255 . . . . 74.24 107.611 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.15 -23.72 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 115.039 -0.982 . . . . 71.24 112.222 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -80.25 -49.75 11.16 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.856 0.862 . . . . 71.43 111.477 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -63.85 -37.79 88.69 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 120.992 0.425 . . . . 72.41 110.099 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -76.52 -48.55 19.07 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.841 0.857 . . . . 73.35 109.733 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.73 27.28 70.83 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.406 -0.816 . . . . 75.21 112.21 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.3 m -105.53 131.41 52.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.088 0.955 . . . . 74.12 110.039 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 m -77.75 -9.23 58.9 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.183 0.993 . . . . 74.44 111.031 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -79.94 79.92 6.41 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.514 -0.921 . . . . 74.2 108.514 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.7 141.51 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-O 121.454 0.645 . . . . 73.42 111.092 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 10.0 tp10 -135.41 137.6 42.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.382 1.473 . . . . 73.43 108.33 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 89.5 t -138.61 108.93 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 108.071 -1.085 . . . . 75.43 108.071 173.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.1 108.52 19.91 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.735 -0.839 . . . . 75.34 108.735 173.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 91' ' ' THR . 96.9 t -94.0 111.09 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.583 -0.895 . . . . 75.42 108.583 176.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.543 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 14.8 m-70 -100.39 144.7 29.08 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.208 1.003 . . . . 55.33 108.778 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.7 p -161.44 105.46 1.28 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.935 0.494 . . . . 73.25 110.463 172.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.54 16.04 58.11 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 116.005 1.162 . . . . 62.42 116.005 167.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.28 -12.61 6.03 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 117.42 0.61 . . . . 72.13 113.758 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -110.51 147.45 34.12 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 117.749 0.774 . . . . 72.04 111.252 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 96.7 m -139.44 129.61 25.24 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.65 0.78 . . . . 74.3 110.726 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.1 m-90 -110.73 127.29 55.27 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.086 0.954 . . . . 73.33 109.592 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 m -95.62 119.83 34.81 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.043 0.937 . . . . 75.42 109.295 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.552 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 79.0 m-85 -118.56 117.75 29.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.632 0.773 . . . . 74.43 109.193 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -125.39 160.0 30.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.074 0.95 . . . . 75.14 109.611 -175.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.59 145.62 51.51 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 109.605 -0.517 . . . . 60.35 109.605 169.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.665 ' HZ2' ' HB2' ' A' ' 97' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.949 0 N-CA-C 108.082 -1.081 . . . . 71.51 108.082 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.922 -0.399 . . . . 74.33 109.922 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.19 64.47 0.44 Allowed Glycine 0 C--N 1.343 0.94 0 N-CA-C 110.916 -0.874 . . . . 74.14 110.916 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -56.04 -47.64 77.49 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.754 1.222 . . . . 74.23 112.019 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -127.61 48.39 2.25 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.103 0.954 . . . . 75.44 108.685 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -72.76 -57.34 4.17 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.704 -1.135 . . . . 62.53 109.251 173.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -85.81 146.53 26.72 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.546 -0.752 . . . . 71.14 110.535 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -101.92 105.45 16.25 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.052 -1.092 . . . . 75.1 108.052 172.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.87 -32.47 71.9 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.719 0.807 . . . . 73.34 110.086 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -80.65 132.58 35.61 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.694 -1.139 . . . . 74.53 110.096 174.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -134.72 150.94 50.65 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.989 0.516 . . . . 73.24 109.723 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.01 -39.46 29.92 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.37 0.668 . . . . 75.45 111.863 -172.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -118.18 112.59 20.35 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.794 0.838 . . . . 73.35 109.176 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -74.33 -52.47 12.13 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 122.101 -0.375 . . . . 71.51 110.348 177.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -156.7 152.71 27.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.744 0.818 . . . . 73.3 109.571 -174.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -132.35 -165.17 1.56 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.148 0.979 . . . . 73.11 108.558 173.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -68.03 -38.51 82.63 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.55 -0.537 . . . . 73.42 109.55 167.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.562 ' HG2' ' HB2' ' A' ' 20' ' ' GLU . 45.8 ttm 57.07 39.19 29.34 Favored 'General case' 0 C--N 1.364 1.209 0 O-C-N 124.527 1.142 . . . . 74.25 109.239 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.433 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 9.7 m -52.78 -57.09 11.3 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.292 -1.322 . . . . 71.14 114.077 -157.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.8 -31.54 72.57 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.727 0.411 . . . . 75.34 111.551 -173.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.562 ' HB2' ' HG2' ' A' ' 17' ' ' MET . 33.8 mm-40 -72.62 -45.23 60.08 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.118 0.567 . . . . 73.43 110.747 176.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' O ' HD12 ' A' ' 25' ' ' LEU . 58.8 tp -55.15 -54.42 43.47 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 124.522 1.129 . . . . 73.25 109.7 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.543 ' HB3' HD13 ' A' ' 66' ' ' LEU . 75.3 mt -65.25 -33.93 77.16 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.492 -0.776 . . . . 73.2 111.484 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 35.4 tt0 -57.63 -44.04 85.26 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.486 0.714 . . . . 75.41 110.331 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -60.24 -33.93 72.98 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 124.132 0.895 . . . . 74.53 110.816 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 21' ' ' LEU . 9.1 mp -80.83 -32.72 35.03 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.538 -0.755 . . . . 74.4 110.001 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -65.38 -47.33 76.73 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 123.572 0.749 . . . . 74.5 109.529 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 80.8 mm-40 -54.62 -40.8 69.29 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.639 1.212 . . . . 74.1 110.351 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.7 tp -71.01 -42.01 70.13 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 115.202 -0.908 . . . . 74.33 111.272 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' HB2' HD12 ' A' ' 62' ' ' LEU . 22.3 m-85 -66.77 -35.64 80.56 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.717 0.407 . . . . 71.01 110.227 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.6 -40.17 92.39 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.918 0.887 . . . . 70.12 110.092 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 11.1 tp10 -60.99 -45.36 95.11 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.977 0.911 . . . . 74.53 110.385 177.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 35' ' ' ARG . 65.1 mt -80.0 -23.71 41.36 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.137 0.575 . . . . 73.24 111.455 -176.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -57.31 -40.49 77.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.393 1.077 . . . . 61.34 111.656 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 9.5 pt-20 -65.98 -23.21 66.54 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.543 0.572 . . . . 74.25 112.543 -175.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -101.07 -17.48 16.68 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 122.12 -0.363 . . . . 72.25 110.775 175.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.51 30.94 72.99 Favored Glycine 0 C--N 1.352 1.442 0 O-C-N 123.863 0.727 . . . . 65.42 114.253 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 t -80.83 149.86 29.38 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.352 0.661 . . . . 65.13 109.609 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 7.4 pt-20 -68.61 117.05 9.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.648 0.737 . . . . 73.44 111.685 -174.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.533 HD13 HD12 ' A' ' 57' ' ' ILE . 62.1 mt -97.53 130.44 46.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.413 1.485 . . . . 70.2 109.86 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.508 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 38.8 t -105.52 109.95 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.606 -0.886 . . . . 74.43 108.606 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.3 t -92.48 110.56 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.824 -1.176 . . . . 74.13 107.824 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -118.44 104.87 11.11 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.586 -0.524 . . . . 74.13 109.586 -172.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 27.6 t -95.15 103.18 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.194 0.998 . . . . 75.13 109.431 -175.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -99.18 111.52 23.89 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.762 1.225 . . . . 72.52 109.758 176.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.478 HG23 ' HG3' ' A' ' 76' ' ' GLU . 49.1 mt -132.09 121.25 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 109.307 -0.627 . . . . 73.25 109.307 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 m120 58.21 37.01 26.18 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.808 1.243 . . . . 72.42 112.9 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.96 -7.86 79.93 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 116.14 -0.482 . . . . 73.12 113.754 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -90.5 147.82 23.14 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.386 0.675 . . . . 64.01 110.528 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -107.2 144.67 33.63 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.045 1.338 . . . . 64.44 110.093 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.514 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 33.9 t70 -138.68 110.88 7.36 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.569 -0.9 . . . . 55.3 108.569 171.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -102.44 122.64 44.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.257 0.623 . . . . 74.42 109.857 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.81 107.52 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 107.84 -1.17 . . . . 75.12 107.84 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.8 mtp-105 -102.26 142.25 33.78 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.696 -0.483 . . . . 55.41 109.696 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.35 151.75 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.095 1.358 . . . . 54.34 108.442 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 42.8 mtp180 -105.95 -67.57 0.92 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.545 0.338 . . . . 65.11 110.382 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -117.24 103.59 10.32 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.792 0.837 . . . . 74.54 109.453 176.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.533 HD12 HD13 ' A' ' 39' ' ' ILE . 1.1 pp -117.29 119.0 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.979 0.912 . . . . 72.44 110.162 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m -65.6 177.57 1.18 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.958 0.903 . . . . 65.32 112.372 -174.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -37.18 78.79 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.514 0.725 . . . . 75.12 112.909 -168.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.599 ' HA ' ' HE2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -89.92 -31.88 17.09 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.952 0.501 . . . . 73.23 110.691 175.348 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HG3' HG21 ' A' ' 57' ' ' ILE . 17.0 tp10 -68.03 -28.53 67.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.732 0.813 . . . . 73.03 111.641 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.554 ' HA ' HD21 ' A' ' 65' ' ' LEU . 4.4 pp -70.73 -27.22 63.8 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.91 0.484 . . . . 75.03 110.558 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.599 ' HE2' ' HA ' ' A' ' 60' ' ' GLU . 45.3 mtmt -69.49 -20.54 63.73 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 115.416 -0.811 . . . . 74.21 110.525 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 31.4 mmmt -70.48 -21.64 62.75 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.083 0.553 . . . . 75.32 110.412 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 62' ' ' LEU . 4.1 mm? -69.83 -54.13 14.99 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.093 0.557 . . . . 75.53 110.416 176.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.561 ' HA ' HD11 ' A' ' 69' ' ' ILE . 3.7 pp -69.37 -19.7 63.83 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.704 -0.68 . . . . 75.32 111.384 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 25.9 tt0 -69.49 -44.17 71.64 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.454 0.702 . . . . 73.3 110.013 171.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 6.2 mmp_? -59.65 -37.22 78.14 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.497 0.319 . . . . 74.21 110.899 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.561 HD11 ' HA ' ' A' ' 66' ' ' LEU . 78.5 mt -64.34 -46.8 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.121 0.969 . . . . 74.34 110.697 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.541 ' HB3' HD13 ' A' ' 22' ' ' LEU . 29.2 ptt180 -63.17 -33.18 74.91 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 123.618 0.574 . . . . 75.21 110.298 -177.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 32.6 mm-40 -59.16 -40.72 86.46 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 123.863 0.727 . . . . 74.1 110.046 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 22.8 mmtp -74.04 -49.19 25.3 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 123.827 0.704 . . . . 74.24 109.592 -174.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.2 pp -64.39 -32.55 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.465 0.478 . . . . 74.12 111.331 -173.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -78.29 -38.68 41.94 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.629 0.772 . . . . 74.52 110.935 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -63.37 -42.07 98.84 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.568 0.747 . . . . 74.13 111.11 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG3' HG23 ' A' ' 45' ' ' ILE . 27.5 mm-40 -69.85 -45.3 68.05 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.564 -0.743 . . . . 74.41 109.961 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.92 -24.74 6.47 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 115.623 -0.717 . . . . 73.45 112.664 -175.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 m -73.48 135.25 44.06 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.286 1.035 . . . . 62.54 110.893 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m -74.43 -20.08 60.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.109 0.964 . . . . 71.13 111.763 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -72.99 84.71 1.27 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.615 0.766 . . . . 72.54 109.794 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.5 m -127.91 145.0 35.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 123.916 0.886 . . . . 75.31 109.884 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.497 ' HG3' ' HB3' ' A' ' 95' ' ' ASN . 32.2 tt0 -142.97 108.01 4.94 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.886 0.874 . . . . 74.44 109.846 -177.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.39 114.3 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.18 0.592 . . . . 74.21 109.461 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -102.37 106.66 17.47 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 107.193 -1.41 . . . . 74.34 107.193 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.37 107.81 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 108.893 -0.78 . . . . 74.43 108.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.508 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 46.4 m-70 -96.52 144.92 26.16 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.524 -1.287 . . . . 74.1 107.524 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -161.06 108.95 1.52 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.672 -0.862 . . . . 72.53 108.672 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.6 -94.31 0.34 Allowed Glycine 0 C--N 1.351 1.407 0 N-CA-C 111.675 -0.57 . . . . 62.25 111.675 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.12 3.1 4.81 Favored Glycine 0 N--CA 1.474 1.183 0 C-N-CA 123.496 0.569 . . . . 64.55 112.133 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -94.08 145.89 24.35 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.854 0.861 . . . . 74.25 110.331 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.2 m -141.59 129.45 21.8 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.118 0.567 . . . . 75.55 110.449 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 22.4 m-90 -111.82 115.64 29.37 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.435 1.094 . . . . 75.31 108.494 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.1 p -97.91 102.28 13.99 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.889 0.476 . . . . 74.23 109.722 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.99 107.06 18.94 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.002 -1.11 . . . . 74.25 108.002 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.497 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . 3.8 p30 -128.63 122.18 30.32 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 109.017 -0.734 . . . . 75.13 109.017 -177.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -73.99 156.27 37.74 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.004 0.521 . . . . 72.43 110.493 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt . . . . . 0 CA--C 1.548 0.895 0 C-N-CA 124.29 1.036 . . . . 73.43 110.84 -173.006 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 110.207 -0.294 . . . . 62.22 110.207 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.63 -57.67 4.12 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-N 116.482 -0.326 . . . . 75.31 113.539 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -89.54 50.49 1.92 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.896 0.879 . . . . 75.13 111.238 -170.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -64.88 -20.89 66.67 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.435 0.294 . . . . 74.05 111.765 -177.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -73.21 121.46 20.35 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.007 -1.108 . . . . 74.01 108.007 169.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -131.57 137.71 48.56 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.309 0.644 . . . . 73.31 110.635 -170.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -70.68 145.11 50.78 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.157 0.583 . . . . 71.24 110.059 176.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -137.59 126.47 24.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.385 0.674 . . . . 74.31 109.596 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.69 -58.07 4.03 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.176 0.99 . . . . 74.42 109.75 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -161.03 121.87 2.84 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 124.336 1.054 . . . . 73.22 108.818 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -83.43 90.53 7.2 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.026 -1.101 . . . . 72.25 108.026 173.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -143.91 140.96 30.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.467 -0.788 . . . . 73.21 109.401 174.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -152.31 162.25 41.43 Favored 'General case' 0 C--O 1.246 0.888 0 C-N-CA 124.097 0.959 . . . . 72.51 109.234 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -113.26 122.57 47.86 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 123.703 0.801 . . . . 74.41 109.148 173.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' A' ' 96' ' ' GLU . 31.7 t -70.43 111.83 6.27 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 107.944 -1.132 . . . . 75.3 107.944 174.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -124.82 -5.14 7.52 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.019 -0.991 . . . . 72.55 110.504 -167.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.3 ttt -154.3 153.74 32.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.942 0.897 . . . . 74.04 109.568 -171.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.581 HG21 ' HB2' ' A' ' 70' ' ' ARG . 46.2 p -63.91 97.18 0.16 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.051 0.94 . . . . 73.02 111.366 176.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -144.09 99.25 3.36 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.222 -1.029 . . . . 70.44 108.222 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 65.31 15.08 9.83 Favored 'General case' 0 CA--C 1.57 1.721 0 C-N-CA 124.582 1.153 . . . . 75.11 110.488 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -91.0 -51.69 5.22 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.597 1.159 . . . . 72.25 109.233 -172.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 70' ' ' ARG . 87.4 mt -61.34 -33.37 73.51 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.568 0.747 . . . . 70.42 111.919 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 36.1 tp10 -49.94 -45.44 51.22 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 124.796 1.31 . . . . 74.54 110.799 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -57.93 -37.28 73.81 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.643 1.215 . . . . 75.52 111.652 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.2 mp -85.41 -36.29 20.76 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.558 -0.746 . . . . 74.12 109.701 -176.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HB2' HD11 ' A' ' 66' ' ' LEU . 8.4 tmm_? -68.41 -37.97 80.82 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.707 0.803 . . . . 62.22 110.393 -175.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 88.7 mm-40 -61.94 -36.47 81.48 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.875 0.734 . . . . 75.32 110.656 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.5 -42.34 74.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.266 0.626 . . . . 72.4 110.626 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -63.6 -39.06 93.41 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.78 0.432 . . . . 73.24 111.171 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.34 -38.51 87.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.482 0.713 . . . . 75.2 110.51 174.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -67.04 -33.71 76.12 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.158 -0.928 . . . . 70.2 110.798 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 86.4 mt -87.99 -17.88 30.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.539 0.736 . . . . 74.34 110.758 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -58.79 -35.01 72.14 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.053 0.941 . . . . 73.23 112.213 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.93 -24.4 62.44 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.415 0.524 . . . . 74.33 112.415 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 ptm180 -97.79 -27.51 14.28 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.215 0.206 . . . . 73.4 110.913 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.11 83.07 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 113.936 0.334 . . . . 71.32 113.936 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -77.12 169.81 17.66 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.004 0.922 . . . . 74.21 110.488 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 5.9 pt-20 -71.59 100.92 2.38 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.059 0.933 . . . . 75.41 110.252 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 39.5 mt -93.69 106.87 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 107.895 -1.15 . . . . 65.11 107.895 176.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.528 HG13 ' HG2' ' A' ' 53' ' ' ARG . 47.9 t -102.3 103.54 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.062 -1.088 . . . . 74.53 108.062 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.427 HG11 HD13 ' A' ' 69' ' ' ILE . 78.6 t -103.28 117.08 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.999 -0.741 . . . . 72.41 108.999 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 28.6 tt0 -127.1 114.64 18.0 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.954 0.407 . . . . 71.33 110.795 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 t -88.93 114.34 26.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.415 1.086 . . . . 65.53 109.868 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -99.07 105.29 17.38 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.668 0.787 . . . . 75.43 109.453 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.548 HD12 ' HB3' ' A' ' 72' ' ' LYS . 12.3 mt -134.91 120.6 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 123.633 0.773 . . . . 73.25 109.532 177.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 54.8 23.16 4.66 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.024 1.33 . . . . 74.33 113.933 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.98 -25.25 16.97 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-O 120.115 -0.269 . . . . 65.23 112.714 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -83.26 147.16 28.15 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.252 0.621 . . . . 64.55 110.742 -175.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -126.02 112.84 16.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.875 0.87 . . . . 75.11 110.139 -175.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 25.1 t70 -89.67 107.27 18.99 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.443 -1.317 . . . . 74.42 107.443 172.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -103.07 118.07 35.98 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.243 -0.651 . . . . 61.34 109.243 -173.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.5 mt -127.82 133.77 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 N-CA-C 107.859 -1.163 . . . . 72.24 107.859 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.528 ' HG2' HG13 ' A' ' 40' ' ' VAL . 23.8 mtp180 -128.31 105.9 8.65 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.699 -0.852 . . . . 73.42 108.699 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.6 m -111.8 152.01 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.433 1.093 . . . . 74.54 108.593 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 76.5 mtt180 -127.62 -85.75 0.59 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.08 0.4 . . . . 74.31 109.942 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.17 83.19 6.5 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 108.225 -1.028 . . . . 75.11 108.225 177.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 62' ' ' LEU . 1.6 pp -109.31 164.82 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 114.949 -1.023 . . . . 73.53 110.52 177.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.2 m -105.21 -178.36 3.63 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.871 0.868 . . . . 73.44 110.16 177.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.88 85.59 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 113.396 0.887 . . . . 74.42 113.396 -170.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.3 -28.41 25.31 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 118.08 0.4 . . . . 73.02 110.487 178.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.54 -44.1 95.18 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.888 -0.596 . . . . 75.2 111.241 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.58 ' HA ' HD22 ' A' ' 65' ' ' LEU . 4.4 pp -68.11 -23.91 64.97 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 122.504 0.322 . . . . 72.33 111.031 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HA ' HD22 ' A' ' 66' ' ' LEU . 98.2 mttt -64.32 -28.91 70.04 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 115.949 -0.569 . . . . 74.53 111.004 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -65.04 -20.75 66.64 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 123.503 0.502 . . . . 75.31 111.433 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.85 -59.5 3.25 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.9 0.48 . . . . 73.15 109.731 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.559 ' HA ' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -68.7 -19.02 64.36 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 119.136 -0.459 . . . . 73.14 111.922 178.78 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 11.9 mm-40 -64.97 -50.73 65.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.013 0.525 . . . . 74.44 110.457 170.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 2.0 mmp_? -58.76 -40.97 85.46 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.756 0.422 . . . . 73.41 110.867 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 66' ' ' LEU . 70.6 mt -63.13 -51.16 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.52 1.128 . . . . 75.02 111.066 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HB2' HG21 ' A' ' 18' ' ' THR . 4.1 ppt_? -66.22 -29.69 70.0 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 115.843 -0.617 . . . . 73.53 110.901 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 40.9 mt-10 -62.83 -40.79 98.51 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.251 0.97 . . . . 73.55 109.194 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.548 ' HB3' HD12 ' A' ' 45' ' ' ILE . 44.8 mmtm -65.88 -53.45 39.45 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.084 0.865 . . . . 73.31 109.785 -175.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.1 pt -73.82 -25.75 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 N-CA-C 112.913 0.709 . . . . 72.54 112.913 -173.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.17 -39.36 41.11 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 117.836 0.289 . . . . 61.43 110.482 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -79.52 -36.85 37.84 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 120.556 0.217 . . . . 74.4 110.429 -176.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -71.41 -57.63 4.26 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.59 0.756 . . . . 70.32 109.758 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.82 -48.83 3.74 Favored Glycine 0 C--N 1.339 0.745 0 CA-C-N 115.822 -0.626 . . . . 52.51 111.989 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.1 m -52.44 118.33 3.5 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.966 0.906 . . . . 74.21 111.381 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.1 m -72.98 77.75 1.18 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.001 0.92 . . . . 72.14 110.579 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -153.53 85.39 1.19 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.523 -1.288 . . . . 73.32 107.523 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.38 129.34 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.659 -0.7 . . . . 75.43 110.263 -175.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -131.02 106.14 8.2 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.325 -0.991 . . . . 74.53 108.325 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.408 HG12 HD11 ' A' ' 69' ' ' ILE . 98.4 t -98.54 111.89 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 108.231 -1.025 . . . . 75.54 108.231 -177.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.25 106.25 17.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.454 -1.313 . . . . 74.31 107.454 -176.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 66.9 t -97.49 111.98 28.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 N-CA-C 107.773 -1.195 . . . . 74.25 107.773 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.512 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 27.2 m-70 -106.27 142.64 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.92 -1.141 . . . . 73.34 107.92 -177.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p -159.95 103.05 1.48 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.423 -0.584 . . . . 63.1 109.423 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 51.99 58.02 11.52 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 123.697 0.623 . . . . 72.1 113.645 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.25 -30.61 5.11 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-O 119.75 -0.472 . . . . 71.45 114.035 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -84.79 130.36 34.69 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.572 0.749 . . . . 55.14 110.69 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.1 m -134.43 128.02 32.69 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 118.421 0.555 . . . . 75.35 111.431 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -112.28 119.1 37.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.832 1.253 . . . . 75.15 108.928 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.3 p -95.58 102.57 14.39 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.47 -0.567 . . . . 74.22 109.47 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.5 130.39 35.84 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.159 0.984 . . . . 75.43 109.596 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -140.73 141.6 34.88 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 123.029 0.532 . . . . 74.44 110.214 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 15' ' ' SER . 40.0 mt-10 -76.71 112.55 13.4 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.517 -0.765 . . . . 72.24 109.291 172.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.125 0 N-CA-C 107.918 -1.141 . . . . 74.31 107.918 174.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.455 -0.572 . . . . 73.32 109.455 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.23 141.85 5.94 Favored Glycine 0 C--N 1.339 0.737 0 CA-C-N 115.443 -0.799 . . . . 74.32 111.161 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -141.29 121.01 13.43 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.44 0.696 . . . . 74.12 109.441 -177.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -136.27 99.76 4.2 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.109 -1.071 . . . . 74.32 108.109 174.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -93.35 -177.69 4.51 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.387 0.675 . . . . 73.32 109.683 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.96 147.45 43.04 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.182 0.515 . . . . 62.24 110.925 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -88.12 3.87 47.54 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.562 1.145 . . . . 74.25 111.153 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 55.32 25.09 7.12 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.006 1.722 . . . . 73.05 111.737 -170.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.95 -23.84 67.34 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 115.226 -0.897 . . . . 74.21 109.878 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -47.01 -39.85 13.45 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.475 1.51 . . . . 70.51 111.244 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp 56.3 58.34 4.34 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.726 1.266 . . . . 75.43 109.815 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -73.22 97.81 2.5 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.46 -1.246 . . . . 75.4 109.093 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -96.04 46.14 1.08 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.303 -0.999 . . . . 72.11 108.303 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -83.53 76.63 9.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.22 -0.9 . . . . 65.2 108.705 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.3 m -145.26 96.23 2.8 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 113.962 -1.472 . . . . 73.11 108.824 -173.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -95.59 -32.32 12.87 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.065 -1.087 . . . . 63.34 108.065 173.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.411 ' SD ' HD11 ' A' ' 22' ' ' LEU . 13.1 tmm? 62.57 90.38 0.08 Allowed 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.693 1.597 . . . . 72.11 110.316 174.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -56.5 -25.49 51.51 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.293 1.037 . . . . 75.2 113.002 -171.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.4 t70 75.65 -65.71 0.31 Allowed 'General case' 0 C--N 1.359 0.987 0 C-N-CA 125.307 1.443 . . . . 74.35 112.586 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.63 -68.71 0.16 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.155 1.382 . . . . 72.32 112.911 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.51 -18.83 62.26 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.067 0.547 . . . . 73.43 112.246 -174.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.579 ' HB3' HD13 ' A' ' 66' ' ' LEU . 55.3 mt -65.38 -44.66 86.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.142 0.577 . . . . 70.13 110.871 -178.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 35.1 tt0 -56.18 -42.2 76.74 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.77 0.669 . . . . 71.42 110.676 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -61.68 -34.79 76.36 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.202 -0.908 . . . . 75.34 110.909 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.5 mt -75.59 -42.05 53.0 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.308 0.643 . . . . 75.55 109.447 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -55.54 -44.53 76.84 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 114.885 -1.052 . . . . 75.23 111.229 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.1 mm-40 -59.42 -39.06 82.28 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.961 0.788 . . . . 74.33 111.57 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.65 -44.75 69.94 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.265 0.353 . . . . 71.54 110.781 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HB2' HD11 ' A' ' 62' ' ' LEU . 19.4 m-85 -63.69 -36.54 84.2 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.306 -0.406 . . . . 75.35 110.786 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -72.14 -28.75 63.46 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.501 0.72 . . . . 62.03 110.653 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -64.28 -36.86 85.46 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.227 0.611 . . . . 74.42 109.889 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD21 ' CH2' ' A' ' 92' ' ' TRP . 69.9 mt -77.54 -29.91 52.54 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.282 1.033 . . . . 75.25 111.701 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -56.35 -20.48 19.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.676 1.19 . . . . 75.11 112.947 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.36 -40.22 64.79 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.271 0.628 . . . . 75.33 112.056 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HG3' HG21 ' A' ' 37' ' ' THR . 3.1 ptm180 -117.97 -0.63 11.63 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.592 1.157 . . . . 71.54 110.268 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.42 -66.77 2.62 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.482 -0.781 . . . . 74.31 112.127 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.469 HG21 ' HG3' ' A' ' 35' ' ' ARG . 73.1 p 50.47 171.12 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.353 1.861 . . . . 73.32 114.971 -177.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 11.4 pt-20 -106.98 105.36 15.35 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.771 -1.104 . . . . 72.51 109.273 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.7 mt -94.71 110.45 23.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 116.023 -0.535 . . . . 72.33 109.564 -172.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -102.86 104.99 17.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 107.833 -1.173 . . . . 61.13 107.833 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.505 HG11 HD13 ' A' ' 69' ' ' ILE . 57.5 t -94.8 116.7 36.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 108.888 -0.782 . . . . 73.1 108.888 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 44.4 tt0 -111.09 106.94 16.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.617 0.767 . . . . 74.54 109.25 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 43.2 t -96.9 105.56 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.374 0.67 . . . . 73.35 109.543 -174.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 65.5 m170 -86.8 108.03 18.55 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.728 0.811 . . . . 74.51 109.293 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.4 mt -127.38 123.65 62.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 124.061 0.944 . . . . 73.23 109.144 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 m120 61.64 27.31 16.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.0 0.92 . . . . 75.34 112.22 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.26 -23.19 35.89 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 116.072 -0.513 . . . . 54.32 113.159 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -81.49 136.22 35.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.039 0.936 . . . . 64.33 111.516 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -93.54 116.01 28.52 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.367 0.603 . . . . 75.54 109.94 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 20.5 t70 -89.12 135.33 33.62 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 107.866 -1.161 . . . . 74.51 107.866 171.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -116.22 122.34 44.71 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.299 0.499 . . . . 71.13 110.886 -175.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -121.65 127.57 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 107.419 -1.326 . . . . 74.0 107.419 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -122.38 128.21 50.68 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 118.327 0.512 . . . . 75.4 109.934 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.9 142.77 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.007 -1.108 . . . . 74.43 108.007 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 33.8 mtp-105 -133.41 110.47 10.03 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.305 0.502 . . . . 75.52 110.913 -174.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.4 m120 61.18 87.76 0.09 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.042 1.337 . . . . 74.43 111.591 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.515 ' HB ' ' HB2' ' A' ' 61' ' ' GLU . 1.3 pp -139.9 172.01 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.104 0.961 . . . . 71.21 111.003 -173.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -86.26 175.29 8.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.991 0.917 . . . . 75.11 111.712 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 25.0 pttm -59.63 -33.78 71.94 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.403 0.681 . . . . 73.14 111.412 178.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.437 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 14.3 pt-20 -77.24 -26.13 52.27 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.041 0.536 . . . . 70.25 111.714 -177.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.515 ' HB2' ' HB ' ' A' ' 57' ' ' ILE . 38.4 mm-40 -90.66 -26.48 19.58 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.663 0.616 . . . . 75.31 112.663 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 29' ' ' PHE . 4.3 pp -73.34 -20.35 60.8 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.741 -0.466 . . . . 74.35 109.741 171.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 60' ' ' GLU . 9.4 mtmp? -57.42 -34.73 69.22 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-N 115.965 -0.561 . . . . 75.42 109.714 168.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 30.9 mmtp -59.62 -23.57 63.1 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.725 0.41 . . . . 73.21 111.108 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 69' ' ' ILE . 90.7 mt -70.72 -51.64 26.14 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.556 0.743 . . . . 74.33 110.823 177.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.579 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.3 pp -74.34 -19.43 60.46 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.101 0.561 . . . . 75.21 111.521 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 44.6 mt-10 -79.0 -30.93 44.55 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.634 0.773 . . . . 63.24 109.613 173.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 15.2 mmt180 -63.68 -45.65 89.11 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.748 -0.464 . . . . 75.21 109.748 167.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.505 HD13 HG11 ' A' ' 41' ' ' VAL . 78.2 mt -65.66 -35.62 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.98 0.912 . . . . 71.53 110.868 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 9.9 ptt180 -64.9 -35.67 81.88 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.585 -0.524 . . . . 65.54 109.585 -178.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 46.4 mt-10 -61.52 -32.81 72.87 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.427 0.632 . . . . 74.45 109.684 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 23.8 mmtp -76.83 -47.78 20.43 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.372 -0.831 . . . . 70.44 110.174 -174.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.25 -19.86 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 116.669 -0.241 . . . . 73.23 111.579 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -83.87 -56.56 3.63 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.269 0.627 . . . . 75.41 111.96 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -79.39 -46.51 17.45 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.642 0.377 . . . . 72.13 110.443 -171.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 1.2 mp0 -77.04 -46.97 21.91 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.047 -0.723 . . . . 75.32 109.047 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.71 30.28 65.56 Favored Glycine 0 C--N 1.352 1.437 0 O-C-N 123.612 0.57 . . . . 73.24 113.933 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.1 m -90.93 130.48 36.86 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.268 0.627 . . . . 62.04 110.187 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 m -71.63 -27.43 63.09 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.717 0.807 . . . . 62.2 110.657 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -81.79 74.26 8.78 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.49 1.138 . . . . 73.44 109.084 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.02 133.84 67.14 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.242 -1.345 . . . . 72.24 108.846 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.618 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 35.4 tt0 -138.83 109.47 6.61 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.636 0.774 . . . . 74.21 109.319 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.15 111.55 25.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.541 -0.911 . . . . 70.5 108.541 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 25.5 m-80 -106.45 107.5 18.54 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.236 1.014 . . . . 74.13 108.316 -176.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.4 t -94.18 114.71 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.932 -0.766 . . . . 63.44 108.932 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -107.49 140.49 40.38 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 107.693 -1.225 . . . . 74.55 107.693 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 32.5 p -159.11 103.93 1.67 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 122.957 0.503 . . . . 63.13 110.368 177.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.08 29.52 71.21 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 115.676 -0.693 . . . . 74.13 114.127 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.16 -27.63 11.48 Favored Glycine 0 C--N 1.345 1.062 0 C-N-CA 122.918 0.294 . . . . 54.42 113.114 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -79.82 142.72 35.03 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.124 0.57 . . . . 74.22 110.109 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.7 m -137.04 140.45 42.07 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.622 0.769 . . . . 74.22 110.893 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.474 ' CH2' HD21 ' A' ' 32' ' ' LEU . 28.0 m-90 -132.0 115.77 16.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.363 1.065 . . . . 74.32 108.256 173.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 p -96.03 104.22 16.15 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.611 -0.514 . . . . 74.0 109.611 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -99.86 132.59 45.12 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.485 -0.931 . . . . 72.34 108.485 175.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -141.61 158.68 43.53 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.332 0.653 . . . . 54.3 109.598 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.76 129.51 41.35 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.987 -0.746 . . . . 64.11 108.987 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.817 0 C-N-CA 123.866 0.867 . . . . 74.04 110.623 -174.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.523 0.201 . . . . 75.32 110.803 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.42 101.51 0.16 Allowed Glycine 0 C--N 1.347 1.171 0 N-CA-C 111.903 -0.479 . . . . 73.21 111.903 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -137.09 164.64 27.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.499 1.119 . . . . 74.13 109.458 177.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -111.96 138.84 48.05 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.935 0.894 . . . . 72.05 108.697 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -112.1 105.06 13.34 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.633 0.773 . . . . 73.3 109.159 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -113.05 94.57 4.96 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.555 0.742 . . . . 72.41 109.219 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -91.05 153.96 19.74 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 107.06 -1.459 . . . . 73.13 107.06 167.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 67.31 110.95 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.879 0.872 . . . . 74.32 108.842 -161.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.05 -28.04 68.54 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.874 0.869 . . . . 72.52 112.905 -167.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.2 t30 65.52 19.96 11.6 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 123.992 0.917 . . . . 74.34 111.362 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.5 mt -90.99 63.89 5.27 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.424 0.689 . . . . 75.3 110.138 -177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -84.71 -63.51 1.32 Allowed 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.875 -0.787 . . . . 75.13 108.875 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -100.81 -80.1 0.49 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 108.121 -1.066 . . . . 73.11 108.121 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 69.49 -30.17 0.19 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.946 1.698 . . . . 75.33 115.073 170.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.4 p -66.72 -26.15 66.87 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.239 1.016 . . . . 74.54 112.215 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -116.83 26.51 9.78 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.904 0.859 . . . . 72.22 109.498 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.2 ttm -116.47 131.3 56.98 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 107.503 -1.295 . . . . 74.11 107.503 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.544 ' HA ' HD11 ' A' ' 21' ' ' LEU . 38.5 p -65.34 -18.88 65.66 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.51 0.559 . . . . 74.43 112.51 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -55.03 -39.57 69.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.958 0.903 . . . . 74.41 111.341 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.34 -52.39 65.78 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.284 0.633 . . . . 73.32 110.07 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 18' ' ' THR . 5.2 mp -61.27 -52.22 65.62 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 114.523 -1.217 . . . . 72.13 110.031 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.441 HD11 ' HB3' ' A' ' 70' ' ' ARG . 85.4 mt -68.83 -36.4 78.14 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 113.925 -1.489 . . . . 74.23 110.963 -173.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 13.7 tm-20 -59.73 -38.13 80.82 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.853 0.861 . . . . 74.32 110.73 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -65.03 -34.44 78.44 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.399 0.68 . . . . 75.15 111.359 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.0 -34.18 57.51 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 109.078 -0.712 . . . . 74.31 109.078 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.54 ' HG3' HD11 ' A' ' 66' ' ' LEU . 26.9 ttp180 -64.01 -40.75 97.06 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.997 1.319 . . . . 73.33 109.717 -174.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 24.9 mm-40 -53.34 -53.67 47.64 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.68 1.237 . . . . 72.01 109.691 176.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.32 -41.03 92.66 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 114.517 -1.22 . . . . 75.42 111.548 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.511 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 23.1 m-85 -66.84 -39.55 87.67 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.407 -0.361 . . . . 74.33 111.235 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.98 -36.1 82.4 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.944 0.898 . . . . 74.3 110.81 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 15.9 mm-40 -65.49 -54.49 27.58 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.841 0.713 . . . . 73.24 110.64 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.53 ' HB3' HG23 ' A' ' 37' ' ' THR . 85.7 mt -70.0 -25.22 63.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.531 0.732 . . . . 75.33 111.332 -176.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.468 ' NE2' ' HA ' ' A' ' 58' ' ' SER . 9.8 t-80 -55.88 -24.56 37.85 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.974 1.309 . . . . 74.22 112.405 175.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.97 -36.74 40.59 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.212 0.605 . . . . 71.44 111.567 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -20.34 10.56 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.784 0.433 . . . . 75.04 110.36 174.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.37 55.78 14.24 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.91 -0.587 . . . . 73.41 112.262 -174.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.53 HG23 ' HB3' ' A' ' 32' ' ' LEU . 14.1 t -69.82 159.95 32.66 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.141 0.577 . . . . 55.4 110.521 177.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.59 100.66 1.48 Allowed 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 121.888 0.851 . . . . 70.22 110.654 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.639 HD12 HD13 ' A' ' 57' ' ' ILE . 44.4 mt -95.29 110.04 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 124.234 1.014 . . . . 63.33 109.442 178.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.47 103.81 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 108.005 -1.109 . . . . 75.05 108.005 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.6 t -93.9 112.28 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 107.251 -1.389 . . . . 73.43 107.251 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 42.1 tt0 -116.05 108.18 15.88 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.528 0.68 . . . . 73.25 109.902 -172.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.491 HG11 ' HG3' ' A' ' 72' ' ' LYS . 57.5 t -91.69 105.75 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 124.834 1.254 . . . . 74.2 109.724 -174.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 33.0 m170 -92.75 100.28 12.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.04 0.936 . . . . 75.54 109.546 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.597 HG23 ' ND2' ' A' ' 46' ' ' ASN . 18.4 mt -128.53 128.88 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 109.676 -0.49 . . . . 73.42 109.676 175.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.597 ' ND2' HG23 ' A' ' 45' ' ' ILE . 51.1 m-80 63.04 21.78 13.08 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 125.021 1.328 . . . . 75.5 111.718 -176.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.88 -17.42 56.69 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 116.502 -0.317 . . . . 72.53 112.59 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 30.3 mt-10 -80.33 144.64 32.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.274 1.03 . . . . 74.34 110.395 -176.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -108.15 137.0 46.89 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 123.537 0.735 . . . . 75.21 109.996 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 34.0 t70 -123.62 113.82 19.18 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.204 -1.036 . . . . 73.0 108.204 171.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.52 127.01 43.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.505 0.722 . . . . 73.14 109.182 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.15 111.45 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.022 -1.103 . . . . 72.44 108.022 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -100.79 106.12 17.49 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.213 0.53 . . . . 74.51 110.122 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.85 153.89 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.939 1.296 . . . . 72.34 108.112 174.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mtp-105 -121.02 -77.6 0.59 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.205 0.526 . . . . 73.11 110.044 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -98.46 41.23 1.14 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.268 -0.878 . . . . 74.4 110.059 -164.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.639 HD13 HD12 ' A' ' 39' ' ' ILE . 1.6 pp -62.87 114.98 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 114.905 -1.043 . . . . 74.11 111.391 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.468 ' HA ' ' NE2' ' A' ' 33' ' ' HIS . 49.9 m -77.46 -173.45 2.92 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.256 -0.883 . . . . 74.45 111.919 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -53.29 -44.83 68.59 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 113.18 0.807 . . . . 74.35 113.18 -171.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.17 -29.89 21.43 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.59 0.756 . . . . 64.41 110.909 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -71.93 -30.16 65.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.334 0.654 . . . . 70.23 112.415 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 4.3 pp -75.51 -25.32 57.16 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.204 0.526 . . . . 74.1 109.99 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 8.5 mtpt -60.86 -25.84 66.94 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 115.07 -0.968 . . . . 73.32 111.205 171.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 31.0 mmmt -58.52 -34.62 71.16 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 123.443 0.464 . . . . 75.53 110.219 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' A' ' 62' ' ' LEU . 3.5 mm? -69.22 -37.36 77.99 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.013 0.821 . . . . 74.14 110.469 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.54 HD11 ' HG3' ' A' ' 26' ' ' ARG . 43.2 mt -65.84 -40.98 92.29 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.421 -0.808 . . . . 73.11 109.772 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 12.7 mm-40 -71.47 -25.4 62.27 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.984 -1.007 . . . . 72.31 110.938 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 24.2 mmt180 -81.22 -20.24 41.51 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.373 0.669 . . . . 73.54 112.266 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.8 mt -86.29 -48.6 15.73 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 CA-C-O 121.257 0.551 . . . . 71.14 110.334 173.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HB3' HD11 ' A' ' 22' ' ' LEU . 15.0 ptm180 -61.39 -35.32 77.16 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 115.5 -0.773 . . . . 75.33 110.734 -174.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 13.0 pt-20 -62.44 -35.3 78.84 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 122.528 0.331 . . . . 73.42 110.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HG3' HG11 ' A' ' 43' ' ' VAL . 41.3 mmtm -69.85 -49.77 49.2 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.121 0.888 . . . . 63.21 109.977 -176.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.12 -21.61 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.993 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.08 -42.11 17.81 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.188 0.595 . . . . 73.13 112.235 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 13.6 ptm180 -72.36 -43.49 63.95 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 117.998 0.363 . . . . 74.35 111.005 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' HG2' ' HG3' ' A' ' 75' ' ' ARG . 16.0 mm-40 -81.49 -41.36 21.85 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.581 0.752 . . . . 60.13 110.694 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.07 15.32 64.97 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 115.462 -0.79 . . . . 70.33 112.674 -174.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -87.22 135.02 33.46 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.135 0.974 . . . . 64.24 110.111 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 m -78.6 -7.5 57.65 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 124.238 0.962 . . . . 74.23 111.124 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.545 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 19.1 mp0 -82.31 53.39 2.27 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.44 1.496 . . . . 64.43 110.348 -176.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.438 ' HA ' HG12 ' A' ' 45' ' ' ILE . 3.0 p -106.92 128.93 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.255 0.622 . . . . 73.52 111.05 -173.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 30.4 tt0 -142.8 109.86 5.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.649 0.779 . . . . 75.24 109.522 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.72 109.44 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 108.699 -0.852 . . . . 73.01 108.699 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.57 108.36 19.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.718 0.807 . . . . 73.12 108.888 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.6 104.76 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 108.509 -0.923 . . . . 73.4 108.509 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -99.48 112.89 25.02 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 107.369 -1.345 . . . . 74.4 107.369 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.539 ' HB3' ' HA ' ' A' ' 39' ' ' ILE . 34.5 p -155.56 142.03 18.64 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.452 -0.573 . . . . 75.33 109.452 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.61 -96.4 0.43 Allowed Glycine 0 C--N 1.352 1.456 0 O-C-N 124.157 0.911 . . . . 72.1 112.401 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.81 12.01 2.39 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.713 -0.555 . . . . 63.24 111.713 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -121.09 160.17 24.21 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.942 0.897 . . . . 73.03 110.874 -176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 80.4 m -132.68 114.57 14.34 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.053 0.941 . . . . 73.44 109.087 172.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 -87.95 113.2 23.37 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.268 -1.012 . . . . 74.43 108.268 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.0 m -102.71 103.81 14.08 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.236 -0.653 . . . . 71.04 109.236 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 82' ' ' GLU . 72.5 m-85 -89.55 107.0 18.83 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 107.517 -1.29 . . . . 71.42 107.517 173.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -98.25 146.76 25.31 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.944 0.898 . . . . 71.43 110.043 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -57.69 103.43 0.13 Allowed 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 121.727 0.775 . . . . 72.33 110.144 174.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.21 -0.905 . . . . 74.1 109.414 -173.124 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 tpp . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 109.687 -0.486 . . . . 73.34 109.687 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.78 85.9 0.65 Allowed Glycine 0 C--N 1.347 1.178 0 O-C-N 123.442 0.464 . . . . 64.45 113.167 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -112.19 166.14 11.53 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.18 0.592 . . . . 64.23 110.612 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -74.28 163.57 27.65 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.691 -1.14 . . . . 73.44 111.023 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -135.71 -64.1 0.64 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.897 0.879 . . . . 72.02 109.775 -172.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -148.56 147.61 29.23 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.513 1.125 . . . . 73.44 108.953 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -154.81 135.43 13.5 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.898 0.479 . . . . 73.44 110.672 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -155.64 107.17 2.57 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.829 0.852 . . . . 75.21 109.191 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.47 -44.98 96.13 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.93 0.892 . . . . 73.25 109.256 172.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -163.72 149.53 11.27 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 114.117 -1.401 . . . . 63.3 108.431 173.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 pp -79.19 162.16 25.93 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.243 -0.435 . . . . 72.12 110.326 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -87.08 80.61 8.31 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.872 -0.604 . . . . 74.53 110.037 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -77.16 -33.37 56.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.728 -0.669 . . . . 71.51 109.463 172.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -81.15 65.04 6.13 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.177 0.991 . . . . 71.21 109.668 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.0 m -147.15 129.28 15.56 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.102 0.961 . . . . 71.11 109.052 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -71.31 138.14 49.07 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 108.226 -1.028 . . . . 75.15 108.226 173.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.4 ttt -56.91 -30.98 64.43 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.368 0.667 . . . . 74.4 112.017 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -90.26 15.89 9.61 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 124.131 0.972 . . . . 72.51 111.524 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -116.16 143.98 44.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.535 -0.728 . . . . 71.21 110.54 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 80.38 -49.36 0.33 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 126.374 1.87 . . . . 71.11 113.387 171.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -58.93 -31.01 68.29 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.946 0.498 . . . . 62.4 111.423 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.63 -45.61 74.86 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.748 0.819 . . . . 73.35 110.099 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 21.2 tp10 -56.55 -36.21 69.02 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.586 0.754 . . . . 75.14 110.664 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -61.16 -41.35 96.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.179 0.592 . . . . 70.01 110.751 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.3 -31.64 64.15 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.889 -0.596 . . . . 71.53 110.235 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.556 ' HG3' HD13 ' A' ' 62' ' ' LEU . 27.2 ttt180 -57.49 -46.81 83.31 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.595 0.559 . . . . 72.32 110.389 173.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.3 mm-40 -57.73 -30.87 65.9 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.751 0.657 . . . . 71.01 111.314 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 31' ' ' GLU . 53.1 tp -77.4 -40.59 43.14 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.884 -0.598 . . . . 74.12 110.902 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' HB2' HD11 ' A' ' 62' ' ' LEU . 18.4 m-85 -67.3 -25.85 66.24 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.245 0.218 . . . . 75.11 110.754 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 33' ' ' HIS . 49.2 mt-10 -80.9 -37.34 29.84 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.976 0.91 . . . . 74.2 110.242 175.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 18.2 tp10 -54.61 -34.36 61.93 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.414 1.086 . . . . 64.33 110.611 170.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.2 mt -89.88 -32.05 17.05 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.63 0.772 . . . . 74.51 111.418 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.439 ' HB3' ' HA ' ' A' ' 30' ' ' GLU . 10.4 t-160 -61.38 -29.14 69.73 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.066 0.946 . . . . 74.12 111.754 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 13.1 pt-20 -65.46 -22.16 66.72 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.188 0.44 . . . . 73.23 112.188 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -19.86 13.53 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 110.12 -0.326 . . . . 75.31 110.12 170.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.18 29.42 75.29 Favored Glycine 0 C--N 1.345 1.066 0 O-C-N 123.549 0.53 . . . . 45.2 113.842 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 t -83.04 172.54 12.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.023 0.529 . . . . 62.51 110.153 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 11.7 pt-20 -66.52 117.58 8.92 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 121.89 0.853 . . . . 73.32 110.987 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.463 HD12 HD13 ' A' ' 57' ' ' ILE . 31.7 mt -101.94 108.15 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.787 1.235 . . . . 63.14 108.164 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.81 101.77 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 108.272 -1.01 . . . . 74.13 108.272 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.5 138.77 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 108.413 -0.958 . . . . 70.12 108.413 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 41.6 tt0 -136.09 132.74 36.52 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.941 -0.392 . . . . 74.23 109.941 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.588 HG11 ' HG3' ' A' ' 72' ' ' LYS . 64.9 t -87.02 137.19 21.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.198 0.999 . . . . 73.24 108.37 175.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -132.07 102.75 5.94 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.428 1.091 . . . . 73.02 109.071 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.519 HG12 ' HA ' ' A' ' 81' ' ' VAL . 55.4 mt -133.81 100.47 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.724 0.81 . . . . 72.41 108.921 174.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.427 HD21 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER 72.05 -71.43 0.13 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.514 1.525 . . . . 74.45 111.175 174.128 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.46 -18.12 0.57 Allowed Glycine 0 N--CA 1.47 0.919 0 CA-C-N 115.363 -0.835 . . . . 64.14 111.394 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -77.89 108.83 11.41 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 123.303 0.641 . . . . 71.35 109.493 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 13.3 ptm180 -120.77 115.06 22.57 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.122 -0.944 . . . . 74.14 109.426 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 23.7 t70 -116.19 110.96 19.51 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.07 -0.968 . . . . 74.42 109.395 -175.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -92.42 132.27 36.9 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.1 -0.704 . . . . 74.34 109.1 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -136.84 133.8 48.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 107.637 -1.246 . . . . 75.34 107.637 -174.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -127.71 110.86 13.06 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 118.381 0.537 . . . . 75.45 109.871 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.449 HG22 HD21 ' A' ' 65' ' ' LEU . 30.2 m -123.49 149.9 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.562 1.145 . . . . 74.23 108.596 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 33.4 mtp85 -126.43 -83.12 0.62 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 119.229 0.922 . . . . 75.42 110.985 -175.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.93 94.88 9.16 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 107.839 -1.171 . . . . 73.32 107.839 177.698 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -137.15 127.51 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 114.989 -1.005 . . . . 72.44 109.901 -174.614 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -73.43 177.09 5.49 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.483 0.713 . . . . 72.14 110.795 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.74 -33.37 68.39 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.237 1.199 . . . . 74.21 114.237 -168.628 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -89.41 -28.15 19.94 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 118.098 0.408 . . . . 75.03 111.371 177.553 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -67.91 -37.89 82.25 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.845 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' A' ' 57' ' ' ILE . 4.5 pp -73.85 -20.8 60.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.85 0.357 . . . . 74.31 110.627 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.653 ' HZ3' ' HB3' ' A' ' 63' ' ' LYS . 9.6 mtpm? -64.76 -17.66 64.37 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-O 118.318 -0.848 . . . . 75.35 111.59 171.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.79 -26.66 68.23 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 118.951 0.796 . . . . 75.44 110.716 174.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD21 HG22 ' A' ' 54' ' ' VAL . 2.0 mm? -64.78 -47.05 79.55 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.375 -0.972 . . . . 74.02 108.375 172.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD13 ' HG2' ' A' ' 63' ' ' LYS . 58.2 mt -66.83 -28.26 68.22 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.54 -1.209 . . . . 72.3 111.035 178.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 27.7 mm-40 -74.37 -25.35 59.45 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 123.575 0.547 . . . . 75.34 110.376 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 65.0 mtt180 -77.91 -54.33 6.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.217 0.207 . . . . 74.34 110.609 170.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.404 HG12 HG21 ' A' ' 43' ' ' VAL . 83.2 mt -55.57 -43.72 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.038 0.935 . . . . 75.31 110.254 -176.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 ptm85 -57.09 -41.84 79.64 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.754 0.659 . . . . 72.12 111.51 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 41.0 mt-10 -59.15 -40.7 86.34 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.027 0.83 . . . . 73.41 110.445 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.588 ' HG3' HG11 ' A' ' 43' ' ' VAL . 67.2 mmtt -72.02 -48.54 43.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.891 -1.05 . . . . 75.1 108.55 -172.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.4 pt -72.49 -28.49 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 116.209 -0.45 . . . . 71.32 111.672 -175.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -85.45 -28.46 25.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.31 0.244 . . . . 71.04 111.214 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -85.98 -36.19 19.96 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.356 -0.215 . . . . 74.22 110.739 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -83.6 -53.28 5.78 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.201 0.6 . . . . 71.22 109.524 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.31 29.1 73.48 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 115.19 -0.914 . . . . 61.11 112.392 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -78.32 157.54 29.13 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.61 0.764 . . . . 74.1 111.025 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.4 p -69.19 -38.36 78.62 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.315 -0.857 . . . . 74.42 110.201 172.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.32 98.54 9.5 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 120.969 0.414 . . . . 75.53 109.907 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' A' ' 45' ' ' ILE . 27.2 m -125.52 122.06 61.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 107.723 -1.214 . . . . 72.44 107.723 169.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -138.01 136.29 36.76 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 120.793 0.33 . . . . 74.0 111.173 -175.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.6 t -122.28 118.28 54.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.834 0.853 . . . . 65.44 109.523 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -107.72 110.36 22.18 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.786 0.835 . . . . 75.11 109.981 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.26 134.07 48.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 109.299 -0.63 . . . . 64.23 109.299 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -133.68 112.5 11.47 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.002 -1.111 . . . . 73.54 108.002 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -159.21 126.03 4.64 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 123.046 0.216 . . . . 65.12 110.858 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.43 31.45 76.84 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 124.042 0.839 . . . . 54.31 114.058 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.5 9.46 86.44 Favored Glycine 0 C--N 1.348 1.216 0 C-N-CA 123.136 0.398 . . . . 75.31 113.677 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -113.2 146.13 39.8 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.985 0.914 . . . . 74.33 110.196 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.1 m -131.85 132.78 43.98 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.827 0.851 . . . . 71.44 110.356 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.5 m-90 -127.64 151.69 48.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.076 0.95 . . . . 75.41 109.999 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.425 HG22 HD21 ' A' ' 95' ' ' ASN . 87.9 m -134.14 104.5 6.23 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.542 0.737 . . . . 72.45 109.508 175.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -100.29 108.9 21.07 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.335 0.654 . . . . 70.02 109.693 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.425 HD21 HG22 ' A' ' 93' ' ' THR . 6.7 p30 -141.54 148.45 39.38 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.092 0.957 . . . . 73.33 108.548 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -95.97 124.18 39.87 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.166 0.187 . . . . 64.34 110.697 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? . . . . . 0 CA--C 1.548 0.888 0 O-C-N 124.349 1.031 . . . . 74.2 108.324 -177.652 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 mtp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.324 -0.25 . . . . 64.35 110.324 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.04 -89.17 1.55 Allowed Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.675 -0.97 . . . . 71.21 110.675 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -84.41 82.97 8.16 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.204 0.602 . . . . 71.04 109.7 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -137.21 122.77 19.7 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.411 1.085 . . . . 75.03 108.87 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 t60 57.46 36.09 26.62 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.849 1.259 . . . . 75.31 110.34 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -68.76 98.52 0.92 Allowed 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.221 -0.9 . . . . 73.53 110.739 -177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -62.16 96.23 0.07 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 107.715 -1.217 . . . . 75.51 107.715 166.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -130.32 76.33 1.72 Allowed 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.862 0.865 . . . . 54.31 108.696 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 61.41 -72.43 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 126.297 1.839 . . . . 74.44 112.274 169.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -55.1 -39.15 69.02 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.809 1.244 . . . . 75.34 111.752 174.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.3 tp -80.14 89.14 5.42 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.767 -0.827 . . . . 73.44 108.767 173.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -122.3 25.8 8.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.894 0.878 . . . . 72.41 109.416 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -45.84 -48.75 15.79 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.644 1.178 . . . . 64.31 111.476 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 77' ' ' GLY . 15.9 tp60 -96.46 86.48 4.17 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.11 -1.07 . . . . 72.31 108.11 171.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 m -64.11 96.5 0.15 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.856 -1.066 . . . . 70.23 110.686 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -79.21 78.86 5.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.386 0.674 . . . . 64.14 109.454 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.8 mtt -67.26 -48.54 67.42 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.992 -1.004 . . . . 75.41 108.408 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 m 68.1 -69.24 0.15 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.982 1.713 . . . . 74.42 113.97 160.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -45.46 -40.28 8.15 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.928 1.691 . . . . 74.33 113.527 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -37.25 37.8 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 112.556 0.576 . . . . 72.24 112.556 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.666 ' HB2' HH11 ' A' ' 24' ' ' ARG . 4.5 pp -79.02 -18.0 54.35 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.897 0.479 . . . . 73.54 111.676 -175.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.555 ' HB3' HD23 ' A' ' 66' ' ' LEU . 91.9 mt -65.77 -27.84 68.58 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.5 -0.773 . . . . 71.44 111.283 173.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 5.7 tp10 -57.81 -41.47 82.25 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.517 0.727 . . . . 63.51 111.197 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.666 HH11 ' HB2' ' A' ' 21' ' ' LEU . 41.5 mtp180 -53.97 -29.98 45.14 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.523 1.129 . . . . 74.33 111.631 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.3 mt -87.28 -43.23 12.33 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.777 0.831 . . . . 75.53 110.505 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.629 ' HB2' HD22 ' A' ' 66' ' ' LEU . 29.7 ttp180 -60.03 -46.71 88.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.047 0.939 . . . . 71.42 111.532 -172.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 24.9 mm-40 -52.52 -46.25 66.61 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 124.875 1.359 . . . . 74.03 110.312 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.89 -47.62 79.88 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.364 -0.834 . . . . 75.54 111.604 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -60.49 -31.77 70.79 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.505 0.503 . . . . 73.43 111.827 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.01 -35.88 64.42 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.516 0.726 . . . . 73.45 110.767 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 25.8 mm-40 -72.17 -19.14 61.8 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.055 0.542 . . . . 63.54 111.342 176.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 86.5 mt -90.31 -30.42 17.48 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.409 0.623 . . . . 72.41 110.428 171.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.28 -38.46 89.42 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 115.745 -0.661 . . . . 74.31 111.066 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.9 -14.76 63.22 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.893 0.701 . . . . 73.41 112.893 -176.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 3.6 ptm85 -107.87 -18.19 13.87 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 122.352 0.261 . . . . 73.42 110.356 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.41 49.45 56.54 Favored Glycine 0 C--N 1.353 1.474 0 O-C-N 123.631 0.582 . . . . 54.54 112.013 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 87' ' ' SER . 11.5 t -90.66 167.65 12.36 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.45 0.7 . . . . 72.15 111.062 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 11.0 pt-20 -79.67 117.18 20.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.256 -0.884 . . . . 72.32 109.208 171.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.656 HD12 HD13 ' A' ' 57' ' ' ILE . 53.0 mt -104.12 132.88 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.781 0.832 . . . . 72.5 108.831 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.528 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 60.2 t -120.11 108.36 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 108.096 -1.076 . . . . 72.32 108.096 174.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.9 t -93.02 121.59 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.742 -0.836 . . . . 74.33 108.742 -176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.489 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 35.6 tt0 -122.35 105.56 10.3 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.171 -0.677 . . . . 64.34 109.171 -175.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -98.46 125.77 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.26 0.624 . . . . 64.14 109.517 -175.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 48.4 m-70 -115.8 115.61 26.59 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.089 0.956 . . . . 74.15 108.579 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 80' ' ' GLU . 53.0 mt -134.98 114.96 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 C-N-CA 122.91 0.484 . . . . 73.52 109.782 177.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 67.79 -63.05 0.32 Allowed 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.052 1.741 . . . . 74.01 111.534 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.65 24.63 0.1 Allowed Glycine 0 C--N 1.342 0.915 0 CA-C-N 116.262 -0.426 . . . . 52.43 112.529 174.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 8.2 mm-40 -101.13 142.55 32.42 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.786 0.834 . . . . 75.32 109.414 171.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -126.7 111.73 14.62 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-O 121.912 0.863 . . . . 75.13 109.094 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 29.9 m-20 -98.53 137.71 36.79 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.108 -1.071 . . . . 73.45 108.108 174.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -132.87 107.53 8.38 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.69 -0.485 . . . . 65.54 109.69 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.484 HG23 HG11 ' A' ' 54' ' ' VAL . 26.5 mt -114.5 107.73 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 107.965 -1.124 . . . . 75.22 107.965 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.49 104.3 16.34 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 107.989 -1.115 . . . . 73.4 107.989 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.484 HG11 HG23 ' A' ' 52' ' ' ILE . 3.1 m -112.4 105.18 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 124.33 1.052 . . . . 71.02 109.302 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 24.7 mtp-105 -103.14 126.29 50.25 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.989 -0.745 . . . . 74.35 108.989 -174.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER 59.23 32.76 22.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.647 0.779 . . . . 74.04 111.214 174.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.656 HD13 HD12 ' A' ' 39' ' ' ILE . 1.5 pp -67.83 155.7 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 116.012 -0.54 . . . . 72.43 111.636 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 m -87.32 -178.17 6.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.196 -0.911 . . . . 65.53 111.578 -170.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 38.9 ttpt -68.49 -51.59 41.6 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.589 0.755 . . . . 74.44 112.135 -170.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -27.63 55.73 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.169 0.588 . . . . 74.43 110.711 175.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 36.4 tt0 -70.52 -32.32 69.74 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.15 -0.932 . . . . 72.14 112.296 -177.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.599 ' HB3' HD11 ' A' ' 57' ' ' ILE . 4.6 pp -68.93 -26.5 65.1 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.063 0.459 . . . . 74.12 110.514 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 66' ' ' LEU . 88.3 mttt -69.4 -20.62 63.81 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.551 -0.749 . . . . 71.24 110.737 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' HA ' ' HG2' ' A' ' 67' ' ' GLU . 13.1 mmmm -70.06 -22.65 63.04 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 109.941 -0.392 . . . . 74.34 109.941 176.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.02 -45.08 78.6 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 109.471 -0.566 . . . . 75.25 109.471 173.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.629 HD22 ' HB2' ' A' ' 26' ' ' ARG . 9.5 mp -58.76 -42.21 88.39 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.255 0.972 . . . . 70.35 111.375 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.587 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 11.0 pt-20 -68.84 -37.88 79.44 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 123.498 0.499 . . . . 74.41 110.744 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -58.78 -45.88 88.8 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 117.832 0.287 . . . . 72.04 111.2 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 65' ' ' LEU . 70.5 mt -65.43 -48.51 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.862 0.865 . . . . 74.11 110.372 -178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.587 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 14.4 ptm180 -64.69 -32.76 74.57 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.196 -0.457 . . . . 73.24 110.956 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 40.2 mt-10 -56.96 -43.87 82.03 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 109.117 -0.697 . . . . 74.53 109.117 173.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -68.38 -43.38 77.47 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.682 0.614 . . . . 73.33 110.91 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 70' ' ' ARG . 1.3 pp -66.09 -28.93 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 CA-C-O 121.044 0.45 . . . . 73.41 110.302 -177.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -86.61 -27.08 24.08 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.337 1.055 . . . . 70.43 112.932 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 71' ' ' GLU . 94.1 mtt180 -75.9 -46.09 31.91 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.395 0.617 . . . . 75.44 109.652 175.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -74.25 -29.5 61.72 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 114.767 -1.106 . . . . 74.5 111.366 -174.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.504 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . 85.03 -58.02 4.98 Favored Glycine 0 C--O 1.218 -0.878 0 CA-C-N 115.88 -0.6 . . . . 62.32 111.963 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -51.62 140.21 19.0 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.528 1.131 . . . . 74.12 113.088 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.2 t -78.6 0.18 27.36 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.576 0.75 . . . . 72.54 110.397 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 45' ' ' ILE . 9.8 tp10 -63.93 86.82 0.04 OUTLIER 'General case' 0 C--N 1.357 0.908 0 C-N-CA 124.67 1.188 . . . . 74.51 110.51 173.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.4 t -133.34 142.05 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 124.245 1.018 . . . . 75.25 109.487 -175.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 31.9 tt0 -142.77 105.8 4.55 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.278 1.031 . . . . 71.12 108.559 175.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.7 t -100.17 111.2 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.262 -0.644 . . . . 63.54 109.262 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 20.1 m-80 -101.57 105.13 16.05 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.004 -1.109 . . . . 74.34 108.004 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.12 117.9 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.781 -0.822 . . . . 73.15 108.781 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.528 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 76.9 m-70 -102.71 148.16 25.94 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.881 0.872 . . . . 73.04 108.727 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.424 ' HB2' HG21 ' A' ' 37' ' ' THR . 67.0 p -158.58 106.55 1.9 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.708 0.403 . . . . 75.3 110.278 175.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.05 -75.22 0.78 Allowed Glycine 0 CA--C 1.534 1.239 0 O-C-N 123.395 0.435 . . . . 65.02 112.129 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -152.96 28.65 0.81 Allowed Glycine 0 C--N 1.341 0.828 0 C-N-CA 123.477 0.56 . . . . 73.0 111.702 171.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 22.4 mt-30 -115.4 122.15 44.94 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.016 0.926 . . . . 73.31 109.912 -176.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.3 m -119.59 117.55 28.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.864 0.866 . . . . 75.51 109.701 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -108.48 115.2 29.65 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.331 0.652 . . . . 73.42 109.395 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 75.4 m -94.95 104.55 16.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.511 0.724 . . . . 73.2 109.483 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -91.23 113.28 25.5 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.003 0.921 . . . . 75.41 108.755 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.7 120.07 37.42 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 106.81 -1.552 . . . . 74.12 106.81 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -71.17 140.28 50.47 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 109.398 -0.593 . . . . 72.43 109.398 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt . . . . . 0 C--O 1.249 1.04 0 C-N-CA 123.385 0.674 . . . . 65.15 109.562 -176.256 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 111.861 0.319 . . . . 75.32 111.861 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.19 143.29 17.48 Favored Glycine 0 C--N 1.353 1.494 0 C-N-CA 123.254 0.454 . . . . 74.33 111.993 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -79.54 78.17 6.09 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.613 0.72 . . . . 73.43 109.521 173.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -81.55 93.54 6.71 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 107.577 -1.268 . . . . 72.32 107.577 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -73.43 71.6 1.3 Allowed 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 122.619 1.2 . . . . 62.14 111.392 -173.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -96.28 129.09 43.69 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 107.48 -1.304 . . . . 75.54 107.48 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -65.4 89.72 0.1 Allowed 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.418 -0.956 . . . . 72.2 108.418 168.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -69.92 -101.94 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 117.718 -1.134 . . . . 75.22 108.517 172.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 69.43 -25.33 0.15 Allowed 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 124.701 1.2 . . . . 62.35 113.966 171.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -69.08 171.22 8.56 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.259 1.023 . . . . 74.33 109.668 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.4 tp 76.02 -23.77 0.23 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.824 1.25 . . . . 74.1 111.408 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -72.88 -168.62 0.49 Allowed 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.484 0.714 . . . . 73.12 109.461 161.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -66.76 146.83 54.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.934 0.494 . . . . 75.12 110.539 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -70.95 -12.1 61.34 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 122.744 0.418 . . . . 72.23 111.159 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 m -60.86 146.64 45.71 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.26 1.024 . . . . 64.42 109.935 167.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -62.76 117.12 5.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.407 0.683 . . . . 70.11 110.065 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.1 mmm -71.02 -175.58 1.18 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.469 0.707 . . . . 75.52 110.328 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -54.9 124.25 16.04 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.444 0.697 . . . . 74.14 111.724 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -159.9 -33.57 0.06 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.622 1.169 . . . . 75.22 110.171 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.87 -45.51 86.24 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.156 0.582 . . . . 71.31 111.392 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.23 -49.41 67.31 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.183 0.593 . . . . 72.54 109.656 173.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.618 ' HB3' HD11 ' A' ' 66' ' ' LEU . 75.0 mt -60.8 -32.75 72.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.202 1.001 . . . . 75.55 112.181 -174.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.4 tp10 -68.0 -32.11 72.26 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.871 0.868 . . . . 75.31 109.865 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -68.14 -27.67 66.64 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.713 -0.676 . . . . 74.51 110.153 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.81 -38.13 33.63 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 115.498 -0.773 . . . . 75.4 109.158 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -62.07 -51.29 68.55 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.942 0.897 . . . . 75.15 109.946 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 35.5 mm-40 -57.8 -45.93 85.37 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 124.182 0.926 . . . . 75.31 110.891 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.4 -49.77 74.18 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 124.076 0.86 . . . . 64.21 111.469 -176.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.538 ' HB2' HD13 ' A' ' 62' ' ' LEU . 21.5 m-30 -66.86 -41.72 86.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.771 0.428 . . . . 71.22 110.787 -175.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.39 -30.49 71.31 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.384 0.673 . . . . 62.45 111.146 177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -74.6 -36.34 62.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.347 1.059 . . . . 65.44 110.941 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.93 -21.16 37.44 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.43 0.692 . . . . 75.24 110.772 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -63.73 -25.99 68.45 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.143 0.977 . . . . 75.33 111.545 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -27.52 69.25 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.009 0.524 . . . . 71.42 111.176 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -19.83 13.53 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.164 0.186 . . . . 73.3 110.509 173.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.04 49.68 75.86 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 123.74 0.65 . . . . 71.52 112.212 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 t -74.98 168.85 19.15 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.139 0.976 . . . . 75.01 111.655 -176.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 87' ' ' SER . 6.6 pt-20 -65.15 86.56 0.06 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 124.401 1.08 . . . . 74.13 111.411 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.509 ' HA ' ' HG ' ' A' ' 87' ' ' SER . 62.5 mt -93.95 109.64 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.716 0.807 . . . . 74.41 109.053 -178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 59.9 t -107.12 104.73 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.866 -1.161 . . . . 72.32 107.866 177.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.56 110.07 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 108.203 -1.036 . . . . 74.03 108.203 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 84.4 tt0 -120.17 107.84 13.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.195 0.598 . . . . 72.0 109.73 -176.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 34.8 t -88.5 137.7 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.278 1.031 . . . . 73.23 108.751 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 58.0 m170 -124.65 108.44 12.04 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.713 0.805 . . . . 75.31 108.897 178.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.82 110.59 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.152 0.981 . . . . 64.14 109.618 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 52.83 34.0 15.49 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 125.373 1.469 . . . . 65.11 112.948 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.99 -21.01 48.28 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 115.796 -0.638 . . . . 72.55 113.455 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.14 117.13 19.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 117.227 0.513 . . . . 72.14 109.779 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.52 134.48 42.33 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.047 0.451 . . . . 75.5 110.005 174.634 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 28.9 t70 -115.65 110.57 19.36 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 107.443 -1.317 . . . . 72.35 107.443 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -117.31 112.46 20.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.189 0.595 . . . . 74.2 110.165 -169.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.2 mt -119.24 107.63 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 108.236 -1.024 . . . . 75.4 108.236 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.41 ' HG2' HG13 ' A' ' 40' ' ' VAL . 74.3 mtt180 -95.99 106.59 18.77 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.59 0.756 . . . . 73.02 109.236 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.65 152.98 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.751 1.22 . . . . 75.22 108.945 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -117.98 -80.25 0.61 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.513 -0.551 . . . . 74.23 109.513 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -104.59 57.82 0.7 Allowed 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.969 0.89 . . . . 63.21 109.088 -170.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.521 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.2 pp -70.43 -178.16 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 CA-C-N 114.123 -1.398 . . . . 74.33 110.904 173.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 m -102.88 168.2 9.37 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.694 0.798 . . . . 74.54 110.252 -177.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.491 ' HD3' ' H ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -75.23 -33.61 61.37 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.83 1.048 . . . . 73.23 113.83 -167.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.27 -28.53 21.03 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.223 0.535 . . . . 75.01 110.259 171.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -68.55 -30.37 69.15 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.232 -0.895 . . . . 73.32 112.225 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 29' ' ' PHE . 3.8 pp -71.83 -20.43 61.83 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.097 0.475 . . . . 75.54 110.966 175.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 95.0 mttt -72.61 -17.29 61.7 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.022 0.529 . . . . 74.12 110.608 174.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 13.0 mmmm -67.47 -32.81 73.9 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.024 -0.535 . . . . 72.11 110.141 168.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.89 -38.41 85.57 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.052 0.541 . . . . 73.4 111.002 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' ' 22' ' ' LEU . 4.2 pp -83.59 -30.25 27.13 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.803 0.441 . . . . 73.03 111.709 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.577 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -74.52 -19.96 60.16 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.961 -0.462 . . . . 73.43 110.237 175.608 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.477 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 4.7 mtp180 -70.93 -17.33 62.69 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.696 0.798 . . . . 74.1 111.442 169.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 83' ' ' VAL . 52.8 mt -83.41 -47.46 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.306 0.643 . . . . 74.01 109.791 172.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 13.0 ptm180 -64.36 -37.05 86.12 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 116.105 -0.498 . . . . 73.53 111.503 -173.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.11 -32.42 70.97 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.551 0.532 . . . . 72.13 109.97 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 40.6 mmtm -74.86 -46.6 35.28 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 123.756 0.66 . . . . 64.23 110.457 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.53 -27.21 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 111.443 0.164 . . . . 75.22 111.443 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -82.34 -43.79 16.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.562 0.745 . . . . 75.01 111.401 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -64.36 -34.0 77.14 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 110.036 -0.357 . . . . 75.04 110.036 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -79.51 -56.66 4.15 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.62 -0.718 . . . . 73.24 110.452 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.16 -4.84 71.25 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.085 -0.961 . . . . 62.42 112.838 -172.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.9 m -87.03 151.11 23.55 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 123.655 0.782 . . . . 65.32 111.229 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -89.4 -11.46 43.12 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.901 -1.045 . . . . 72.31 110.403 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -71.24 93.84 1.13 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 109.561 -0.533 . . . . 70.44 109.561 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.0 p -134.67 133.51 54.39 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 C-N-CA 124.05 0.94 . . . . 75.24 109.257 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.542 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 39.5 tt0 -136.24 107.28 6.72 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.783 0.833 . . . . 73.05 108.774 176.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.439 HG23 HD11 ' A' ' 69' ' ' ILE . 25.5 t -98.83 110.97 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 108.544 -0.91 . . . . 72.02 108.544 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.489 ' ND2' HG23 ' A' ' 93' ' ' THR . 11.0 m120 -101.17 107.35 18.73 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.11 -1.07 . . . . 71.42 108.11 177.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 91' ' ' THR . 57.8 t -95.38 106.7 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 108.042 -1.096 . . . . 74.01 108.042 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.458 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 22.0 m-70 -97.07 111.81 23.87 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 107.15 -1.426 . . . . 64.1 107.15 -177.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.509 ' HG ' ' HA ' ' A' ' 39' ' ' ILE . 18.6 m -140.5 106.87 5.27 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.297 0.499 . . . . 71.24 111.178 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.75 33.07 86.26 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 124.368 1.043 . . . . 62.14 113.934 174.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.86 -13.72 57.6 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-O 119.596 -0.558 . . . . 61.31 113.489 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -92.24 156.95 16.95 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.217 0.607 . . . . 74.5 110.259 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 97.2 m -142.44 114.41 8.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.413 0.685 . . . . 74.15 109.872 171.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -91.81 126.73 37.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.678 0.791 . . . . 74.41 109.324 173.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.489 HG23 ' ND2' ' A' ' 84' ' ' ASN . 71.2 p -102.99 107.27 18.01 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.367 0.667 . . . . 73.4 110.281 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -99.87 108.89 21.27 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.552 0.741 . . . . 74.3 109.934 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -99.55 157.68 16.28 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.784 0.833 . . . . 71.41 109.391 173.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.2 132.13 50.73 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 109.129 -0.693 . . . . 75.33 109.129 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt . . . . . 0 CA--C 1.555 1.141 0 CA-C-O 118.217 -0.897 . . . . 74.33 110.428 -174.476 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 108.975 -0.75 . . . . 74.12 108.975 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.1 -153.52 23.18 Favored Glycine 0 C--O 1.242 0.653 0 N-CA-C 109.739 -1.344 . . . . 73.43 109.739 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -137.05 134.14 36.22 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 117.299 0.55 . . . . 74.44 110.179 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -87.87 173.71 8.78 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.997 0.919 . . . . 74.13 108.884 172.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -61.01 142.13 56.84 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.351 0.66 . . . . 70.12 111.02 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -69.69 80.52 0.43 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.338 1.055 . . . . 72.41 112.231 -170.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -176.62 149.54 0.78 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.28 1.432 . . . . 73.31 107.793 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 76' ' ' GLU . 1.7 p-80 -85.47 159.29 19.97 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.623 0.249 . . . . 73.14 110.782 173.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.568 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . 13.0 mm-40 -76.64 93.58 3.64 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.2 -0.667 . . . . 75.34 109.2 172.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -75.15 77.7 2.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.23 0.612 . . . . 72.41 110.365 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tt 53.4 61.67 3.02 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.101 1.361 . . . . 75.34 110.016 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -123.1 -76.48 0.59 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.617 -0.882 . . . . 74.11 108.617 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -78.97 84.32 5.0 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.616 -0.883 . . . . 74.3 108.616 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -85.02 90.23 7.79 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.804 -1.184 . . . . 75.21 107.804 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.8 p -61.37 -17.88 56.06 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.338 1.055 . . . . 72.45 111.856 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.9 m80 65.89 38.6 4.97 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 124.857 1.263 . . . . 74.14 109.889 -174.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.8 ttm -60.16 -9.92 3.86 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 124.463 1.105 . . . . 72.42 112.078 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 70' ' ' ARG . 76.5 p -75.27 -5.68 45.86 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.586 1.555 . . . . 61.23 113.117 173.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -61.48 104.19 0.39 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.267 1.027 . . . . 74.34 110.764 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 72.65 -11.23 0.86 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.147 1.379 . . . . 71.21 112.52 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.25 -54.7 33.27 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.414 1.085 . . . . 73.45 109.531 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.79 -40.72 93.65 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 124.127 0.892 . . . . 73.14 111.082 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 36.5 tt0 -59.18 -43.55 92.17 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.53 0.519 . . . . 75.44 110.662 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -67.59 -28.49 67.81 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.437 0.695 . . . . 74.22 111.744 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.8 mt -77.97 -34.0 51.2 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.79 -0.819 . . . . 75.11 108.79 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.452 ' HB2' HD13 ' A' ' 66' ' ' LEU . 38.9 ttp180 -65.31 -44.8 86.71 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.987 -1.006 . . . . 74.43 109.355 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 30.4 mm-40 -53.54 -40.99 65.95 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.344 1.028 . . . . 75.03 110.806 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.94 -52.18 64.04 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 114.997 -1.001 . . . . 73.02 110.534 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -65.33 -34.38 78.19 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.994 0.517 . . . . 74.52 111.872 -176.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.94 -34.82 71.85 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.77 0.828 . . . . 74.21 110.32 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.86 -48.27 72.15 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.023 -0.732 . . . . 72.53 109.023 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.23 -25.71 68.18 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.358 1.063 . . . . 73.15 111.831 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -55.52 -26.2 41.59 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.334 1.054 . . . . 74.04 112.664 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.81 -31.61 68.6 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.38 0.672 . . . . 75.52 111.308 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.33 -31.5 8.16 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.93 0.492 . . . . 75.4 110.159 176.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.11 42.12 99.69 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.864 0.727 . . . . 72.34 113.136 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 t -78.37 177.01 8.81 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.293 0.637 . . . . 75.51 110.987 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.22 93.2 0.06 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.36 1.064 . . . . 74.23 112.059 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' HB ' HG23 ' A' ' 54' ' ' VAL . 47.9 mt -94.47 109.76 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 108.571 -0.9 . . . . 73.11 108.571 177.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.453 HG12 ' HG2' ' A' ' 53' ' ' ARG . 46.8 t -112.0 103.21 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 108.572 -0.899 . . . . 73.33 108.572 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -94.13 119.6 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 109.16 -0.682 . . . . 74.42 109.16 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.575 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 35.4 mt-10 -112.71 107.41 16.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.673 0.789 . . . . 70.12 110.594 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 21.5 t -93.7 98.45 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 107.852 -1.166 . . . . 73.24 107.852 175.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -89.77 106.58 18.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.012 -0.995 . . . . 71.41 109.331 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.434 HG12 ' HA ' ' A' ' 81' ' ' VAL . 38.4 mt -134.57 124.93 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.823 0.849 . . . . 75.42 109.745 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 57.63 35.59 25.84 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.805 1.242 . . . . 73.43 112.653 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.93 -21.75 35.06 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 115.66 -0.7 . . . . 74.33 113.257 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -82.91 140.96 32.54 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.84 0.856 . . . . 72.14 110.753 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -115.95 124.55 50.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.809 0.843 . . . . 74.31 110.141 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.575 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 27.6 t0 -100.65 111.27 23.48 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 108.235 -1.024 . . . . 74.13 108.235 172.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -105.34 110.82 23.31 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.711 -0.848 . . . . 74.11 108.711 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -114.67 130.09 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 106.83 -1.544 . . . . 74.43 106.83 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.453 ' HG2' HG12 ' A' ' 40' ' ' VAL . 45.9 mtp180 -122.5 114.68 21.01 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.997 -0.742 . . . . 74.22 108.997 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG22 HD13 ' A' ' 65' ' ' LEU . 27.1 m -127.57 152.34 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.796 1.238 . . . . 74.21 108.799 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -123.97 -89.15 0.59 Allowed 'General case' 0 N--CA 1.484 1.274 0 O-C-N 122.152 -0.342 . . . . 73.01 110.841 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.404 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.9 OUTLIER -92.99 37.73 1.03 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.649 0.78 . . . . 74.32 110.067 -170.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pp -63.32 142.53 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.395 1.078 . . . . 75.43 112.941 -174.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 m -78.63 175.03 10.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.605 0.762 . . . . 72.52 109.944 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 58.0 pttt -57.77 -39.62 77.87 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.453 0.701 . . . . 74.21 110.821 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.41 -33.47 73.05 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.157 0.983 . . . . 73.11 111.296 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.1 -31.76 27.11 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.021 0.528 . . . . 64.21 111.334 -174.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' A' ' 57' ' ' ILE . 4.6 pp -76.92 -20.92 55.62 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.906 -0.496 . . . . 72.25 110.125 174.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 57.0 mtpt -64.54 -21.92 66.82 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 119.329 -0.367 . . . . 74.23 110.977 167.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 32.7 mmmt -67.92 -25.26 65.39 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 110.332 -0.247 . . . . 74.42 110.332 175.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.515 HD13 HG22 ' A' ' 54' ' ' VAL . 92.7 mt -69.22 -40.21 78.11 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.401 -0.592 . . . . 75.15 109.401 174.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 26' ' ' ARG . 38.0 mt -65.49 -33.53 76.15 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.24 -0.891 . . . . 71.52 110.543 178.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 32.2 mm-40 -61.38 -56.24 22.53 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 115.779 -0.646 . . . . 72.1 109.612 173.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 21.0 mmt180 -58.0 -43.4 86.61 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.252 -0.431 . . . . 72.34 111.89 -172.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.37 -47.15 93.23 Favored 'Isoleucine or valine' 0 C--O 1.25 1.109 0 O-C-N 123.808 0.693 . . . . 73.5 110.349 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' HB2' HG22 ' A' ' 18' ' ' THR . 7.1 ptp85 -61.11 -39.79 91.32 Favored 'General case' 0 C--N 1.371 1.531 0 O-C-N 123.353 0.408 . . . . 61.21 110.082 -178.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 45.3 mt-10 -62.04 -31.24 71.63 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.193 0.933 . . . . 63.3 111.198 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 36.1 mmtm -78.34 -50.63 11.42 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 109.96 -0.385 . . . . 74.0 109.96 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.9 -28.47 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 O-C-N 123.318 0.386 . . . . 74.3 111.819 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 23.0 pt-20 -86.6 -36.63 18.74 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.114 0.566 . . . . 73.03 111.679 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -72.72 -23.32 60.84 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.02 0.373 . . . . 73.51 110.749 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.656 ' HA ' ' HB2' ' A' ' 8' ' ' HIS . 39.4 mm-40 -96.12 -34.65 11.62 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.075 -0.511 . . . . 75.33 110.875 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.568 ' HA3' ' HB2' ' A' ' 9' ' ' GLU . . . 61.31 20.07 58.16 Favored Glycine 0 C--N 1.349 1.26 0 O-C-N 123.497 0.498 . . . . 74.34 112.911 -174.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -106.56 142.44 36.2 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.07 0.948 . . . . 74.12 110.057 -171.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 m -74.47 -10.04 59.18 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.678 0.791 . . . . 62.32 111.428 175.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -71.38 92.25 1.06 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.314 1.046 . . . . 74.21 109.048 178.482 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.434 ' HA ' HG12 ' A' ' 45' ' ' ILE . 6.0 p -142.6 136.22 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.734 0.413 . . . . 75.52 111.512 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HG2' ' ND2' ' A' ' 84' ' ' ASN . 22.7 tt0 -141.8 105.81 4.76 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.223 -1.028 . . . . 74.11 108.223 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.47 109.83 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.922 -0.769 . . . . 74.13 108.922 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.411 ' ND2' ' HG2' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -100.51 104.77 16.16 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.814 -1.18 . . . . 70.54 107.814 177.377 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 91' ' ' THR . 91.2 t -93.31 113.7 28.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 108.312 -0.995 . . . . 75.31 108.312 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.446 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 38.6 m-70 -94.86 148.37 22.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.668 -1.234 . . . . 72.34 107.668 174.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.416 ' HG ' HG12 ' A' ' 39' ' ' ILE . 28.3 t -161.3 101.84 1.23 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.227 -0.657 . . . . 63.33 109.227 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.26 38.9 57.73 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 124.222 0.951 . . . . 71.55 115.095 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.37 -29.72 10.63 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.841 0.32 . . . . 74.2 113.284 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -79.69 147.11 32.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.544 0.738 . . . . 74.34 110.309 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 68.3 m -143.74 115.87 8.41 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.295 0.638 . . . . 74.21 110.508 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.8 m-90 -98.06 115.05 27.45 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.492 -0.929 . . . . 63.31 108.492 172.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.3 p -92.75 103.97 16.28 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.235 0.541 . . . . 72.43 109.837 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -89.59 120.72 31.13 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.071 -1.085 . . . . 74.13 108.071 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -98.1 160.31 14.38 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.878 0.871 . . . . 72.42 110.203 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.62 146.8 15.73 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.318 0.647 . . . . 62.34 111.379 174.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? . . . . . 0 CA--C 1.556 1.198 0 C-N-CA 123.707 0.803 . . . . 75.22 109.462 -178.29 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.584 -0.524 . . . . 73.23 109.584 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.18 79.87 0.03 OUTLIER Glycine 0 C--N 1.344 1.004 0 N-CA-C 111.123 -0.791 . . . . 72.41 111.123 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.2 163.83 25.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.278 0.631 . . . . 72.03 110.758 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -117.44 120.81 39.27 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 108.77 -0.826 . . . . 74.3 108.77 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -82.54 133.04 35.19 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.479 -0.563 . . . . 74.34 109.479 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -151.41 97.01 2.35 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.609 -0.886 . . . . 73.4 108.609 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -81.36 132.63 35.34 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.135 -0.484 . . . . 74.24 109.793 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -90.18 127.62 36.16 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.734 -0.839 . . . . 72.43 108.734 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -77.3 151.95 34.77 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.288 0.368 . . . . 75.53 110.416 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -68.9 152.39 45.34 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.815 -0.629 . . . . 75.44 109.901 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.0 tp -137.99 124.32 20.57 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.717 -0.845 . . . . 73.44 108.717 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -127.56 -172.68 2.72 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.608 0.763 . . . . 75.14 110.307 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -57.56 140.92 49.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.111 0.964 . . . . 74.32 111.721 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -119.33 142.02 48.51 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.417 -0.957 . . . . 65.32 108.417 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.0 p -75.07 166.43 23.68 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.438 0.695 . . . . 75.11 110.692 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.88 -17.86 64.61 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.689 0.796 . . . . 74.42 111.989 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 mtm 64.57 14.59 9.07 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.798 1.239 . . . . 74.25 112.738 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -64.18 -17.15 63.24 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.788 0.435 . . . . 63.42 111.937 -175.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -86.12 -55.52 3.89 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.036 0.534 . . . . 55.03 110.063 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -77.52 -55.08 5.67 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.825 0.85 . . . . 74.55 112.019 -171.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -54.78 -52.25 63.19 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.437 0.695 . . . . 73.54 110.266 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HA ' HD21 ' A' ' 25' ' ' LEU . 82.1 mt -69.52 -25.54 64.09 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 123.631 0.582 . . . . 71.04 112.126 -178.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -61.76 -36.63 81.58 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 110.305 -0.257 . . . . 74.32 110.305 175.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -62.94 -30.87 71.89 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.572 0.545 . . . . 74.52 109.744 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 22' ' ' LEU . 3.3 mm? -77.51 -43.18 32.97 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 115.655 -0.702 . . . . 62.25 110.127 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HB2' HD22 ' A' ' 66' ' ' LEU . 41.5 ttm180 -58.04 -51.75 68.39 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.268 0.627 . . . . 73.54 110.971 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 30.9 mm-40 -60.01 -39.92 87.49 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.338 1.024 . . . . 72.11 110.711 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.7 tp -66.95 -42.95 84.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.204 0.602 . . . . 74.33 110.748 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -68.29 -24.24 64.84 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.866 0.466 . . . . 74.33 110.886 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.82 -32.02 52.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.481 0.712 . . . . 71.4 110.979 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 16.7 mm-40 -62.41 -34.6 77.06 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.497 0.665 . . . . 72.02 109.574 170.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 mt -87.51 -24.21 24.16 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 115.424 -0.807 . . . . 70.4 111.779 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -64.32 -32.22 73.73 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.904 0.881 . . . . 65.22 111.84 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.04 -28.75 70.31 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.044 0.538 . . . . 73.3 111.358 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -112.26 -10.16 13.84 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.213 0.605 . . . . 70.25 110.763 -175.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.08 28.18 72.47 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 123.859 0.725 . . . . 74.43 114.492 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -71.31 162.29 29.68 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.284 0.564 . . . . 74.14 111.687 -172.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.547 ' HB3' ' HE ' ' A' ' 55' ' ' ARG . 7.5 pt-20 -73.63 98.93 2.96 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.193 0.997 . . . . 72.23 111.266 -176.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.9 mt -92.59 115.4 31.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.835 -0.802 . . . . 75.41 108.835 -176.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.576 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 45.2 t -108.03 102.83 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 107.979 -1.119 . . . . 71.01 107.979 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.4 t -93.78 124.78 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.719 -0.845 . . . . 75.31 108.719 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.591 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 43.1 tt0 -124.04 107.55 11.41 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.874 0.87 . . . . 74.22 109.086 -173.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 46.8 t -89.55 124.1 42.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.003 0.921 . . . . 75.15 109.276 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 37.9 m-70 -114.73 99.4 7.48 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.257 1.023 . . . . 73.12 108.792 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.476 HG21 ' ND2' ' A' ' 46' ' ' ASN . 25.8 mt -128.34 123.01 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 N-CA-C 109.424 -0.584 . . . . 72.52 109.424 176.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' HG21 ' A' ' 45' ' ' ILE . 55.5 m-80 63.61 18.44 11.1 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.007 1.323 . . . . 73.42 112.449 -176.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.19 -5.71 71.75 Favored Glycine 0 C--N 1.351 1.361 0 CA-C-O 120.117 -0.268 . . . . 65.34 113.075 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -85.99 124.34 32.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.259 0.624 . . . . 75.24 110.055 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -91.74 153.54 19.56 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.623 0.769 . . . . 75.34 110.039 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.591 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 37.9 t70 -144.57 111.82 5.99 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.755 0.422 . . . . 72.0 110.234 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.74 123.27 42.86 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.568 0.747 . . . . 74.23 110.38 -174.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 mt -128.33 108.22 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.225 -1.028 . . . . 74.31 108.225 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' HG2' HG21 ' A' ' 40' ' ' VAL . 23.5 mtm180 -98.63 123.6 42.92 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.795 0.438 . . . . 71.5 110.843 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.401 HG23 HD21 ' A' ' 65' ' ' LEU . 14.7 m -135.34 135.99 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.65 1.18 . . . . 74.12 109.403 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.547 ' HE ' ' HB3' ' A' ' 38' ' ' GLU . 29.3 mtp-105 -131.35 129.46 41.41 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.484 -0.562 . . . . 74.12 109.484 -177.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.43 19.46 11.81 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.508 1.123 . . . . 72.04 112.706 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.456 HD11 ' HB3' ' A' ' 62' ' ' LEU . 2.0 pp -62.46 149.5 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 113.019 0.748 . . . . 74.24 113.019 -175.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.556 ' HB2' ' HG2' ' A' ' 61' ' ' GLU . 14.3 m -74.52 170.83 14.93 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 115.908 -0.587 . . . . 75.34 111.212 -178.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -21.73 61.18 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.08 0.467 . . . . 74.3 111.624 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -87.56 -27.38 22.6 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.254 0.622 . . . . 74.54 110.848 171.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.556 ' HG2' ' HB2' ' A' ' 58' ' ' SER . 17.0 mm-40 -77.47 -24.35 50.21 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.653 0.381 . . . . 63.23 111.882 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HA ' HD22 ' A' ' 65' ' ' LEU . 4.4 pp -69.46 -23.73 63.7 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 110.287 -0.264 . . . . 73.42 110.287 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -64.72 -20.72 66.49 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.447 0.699 . . . . 74.31 111.642 173.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -76.67 -20.13 56.99 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.443 0.697 . . . . 74.4 110.194 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.617 HD22 ' HA ' ' A' ' 62' ' ' LEU . 3.6 mm? -77.44 -41.65 38.95 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.907 -0.775 . . . . 75.54 108.907 170.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 26' ' ' ARG . 10.8 mp -54.94 -41.88 71.61 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.642 0.777 . . . . 63.43 109.91 170.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 27.9 tt0 -64.65 -50.67 66.17 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 114.319 -1.31 . . . . 73.21 109.794 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -56.43 -26.38 53.45 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.533 0.733 . . . . 73.21 112.901 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.8 mt -84.36 -44.8 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.41 0.684 . . . . 71.22 110.796 175.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HB3' HD11 ' A' ' 22' ' ' LEU . 11.1 ptt180 -62.05 -38.55 89.19 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 122.619 0.368 . . . . 74.3 110.356 -174.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 20.5 mm-40 -56.58 -36.71 69.67 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.958 0.786 . . . . 62.11 109.373 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -75.35 -51.07 14.04 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.43 -0.805 . . . . 73.13 109.68 -175.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.1 -21.69 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 117.692 0.224 . . . . 75.1 111.5 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -76.93 -46.33 24.63 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.619 0.768 . . . . 72.01 110.971 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 mtp-105 -67.24 -45.86 75.49 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.369 0.668 . . . . 75.31 111.186 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -78.4 -56.59 4.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.088 0.955 . . . . 72.34 109.087 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.1 29.78 76.24 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.184 -0.916 . . . . 72.3 112.981 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.9 t -102.85 162.8 12.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.087 0.955 . . . . 72.33 110.225 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 m -90.32 -13.61 34.83 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.343 0.657 . . . . 74.21 111.147 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 10.7 tp10 -79.61 73.09 6.31 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.29 -0.633 . . . . 63.12 109.29 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.1 t -125.79 129.72 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.703 0.801 . . . . 74.01 109.531 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.517 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 30.4 tt0 -142.49 113.56 7.62 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.2 1.0 . . . . 74.32 109.312 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.0 t -99.46 116.52 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 122.979 0.512 . . . . 71.15 110.276 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.413 ' N ' HD21 ' A' ' 84' ' ' ASN . 0.8 OUTLIER -102.36 107.74 18.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.851 0.86 . . . . 73.14 108.824 177.299 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.0 t -94.56 115.81 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.959 -0.756 . . . . 73.23 108.959 172.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.576 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 55.0 m-70 -104.08 153.53 20.79 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.808 -1.182 . . . . 75.43 107.808 173.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 61.5 p -158.22 105.23 1.9 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.928 -0.397 . . . . 75.32 109.928 174.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.87 -80.81 0.67 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 111.703 -0.559 . . . . 74.13 111.703 -175.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -140.89 6.71 2.63 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 123.588 0.613 . . . . 63.42 112.16 173.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 36.2 mt-30 -89.42 147.13 24.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.427 1.091 . . . . 54.42 109.773 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.7 m -142.27 126.0 16.99 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.62 0.645 . . . . 74.14 111.412 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -116.91 136.92 52.57 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.922 1.289 . . . . 74.35 107.911 169.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.6 p -127.49 108.75 11.08 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.669 0.387 . . . . 74.43 110.38 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -92.1 137.31 32.47 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.383 -0.969 . . . . 74.55 108.383 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -143.5 136.12 27.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.836 0.454 . . . . 72.11 109.778 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.15 126.84 31.47 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.73 0.412 . . . . 73.31 109.984 173.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt . . . . . 0 C--O 1.245 0.855 0 C-N-CA 123.467 0.707 . . . . 73.32 109.963 176.231 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 mtm . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 109.395 -0.594 . . . . 75.12 109.395 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.67 -178.47 53.95 Favored Glycine 0 C--N 1.348 1.216 0 O-C-N 123.365 0.416 . . . . 64.42 113.803 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -163.39 107.35 1.03 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.839 0.856 . . . . 73.51 109.813 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -119.8 135.18 54.96 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.512 1.125 . . . . 72.4 108.585 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -99.24 -43.28 6.67 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.535 0.734 . . . . 74.24 111.172 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 59.99 86.34 0.1 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 124.402 1.063 . . . . 74.22 110.765 -170.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -76.77 138.28 39.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.684 -0.689 . . . . 71.12 109.403 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -149.13 54.92 0.98 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 122.046 0.927 . . . . 75.2 109.655 -171.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -71.15 92.21 0.97 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.616 -1.174 . . . . 73.54 108.783 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -150.36 89.3 1.56 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.547 -1.279 . . . . 74.2 107.547 178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.7 mt -121.21 108.49 13.82 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.123 -1.436 . . . . 74.33 107.123 175.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -73.27 76.82 1.32 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.152 0.581 . . . . 74.31 110.875 -178.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -65.94 139.23 58.23 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.489 -0.93 . . . . 73.24 108.489 171.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -58.58 105.61 0.31 Allowed 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.838 0.711 . . . . 63.21 110.902 -170.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 m -82.44 66.91 8.26 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.458 1.103 . . . . 74.15 111.929 -171.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -109.42 -5.96 15.61 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.689 0.795 . . . . 73.5 109.809 172.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -85.35 122.64 29.81 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.065 0.946 . . . . 75.54 109.453 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 m -82.61 -18.31 41.67 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.657 0.783 . . . . 74.23 111.846 -171.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -76.48 7.54 4.36 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.378 0.881 . . . . 75.03 113.378 -171.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.47 -67.78 0.41 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.791 0.836 . . . . 71.44 111.181 177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' HD21 ' A' ' 25' ' ' LEU . 2.7 pt? -68.93 -19.24 64.18 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 116.108 -0.496 . . . . 74.41 110.947 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' HB3' HD11 ' A' ' 66' ' ' LEU . 68.4 mt -78.29 -36.64 46.35 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.17 0.588 . . . . 75.42 111.495 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.64 -39.18 93.7 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.332 0.653 . . . . 72.24 111.138 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -22.41 62.38 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.763 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD21 ' O ' ' A' ' 21' ' ' LEU . 3.7 mm? -77.71 -34.72 52.61 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.433 -0.58 . . . . 64.3 109.433 172.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -61.26 -40.3 93.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.096 0.958 . . . . 73.4 110.165 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -59.95 -41.68 92.38 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.12 0.887 . . . . 74.41 111.034 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.58 -36.08 75.94 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.711 0.804 . . . . 74.43 110.61 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.554 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 23.1 m-85 -72.0 -36.29 69.7 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.767 0.427 . . . . 75.43 110.79 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -65.38 -40.82 93.99 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.673 0.789 . . . . 72.23 109.858 174.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -54.37 -52.18 62.44 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 114.752 -1.113 . . . . 74.14 110.185 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 30.0 mt -77.76 -23.83 49.14 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.317 -0.856 . . . . 74.3 111.449 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -56.16 -38.67 71.2 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.406 1.082 . . . . 73.34 112.406 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -23.79 66.14 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.798 0.666 . . . . 64.43 112.798 -174.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 4.8 ptm85 -101.71 -22.47 14.41 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 110.238 -0.282 . . . . 72.21 110.238 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.18 31.01 69.16 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.613 0.57 . . . . 73.21 113.452 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -70.63 150.26 46.2 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 109.222 -0.659 . . . . 71.44 109.222 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 10.7 pt-20 -70.66 120.18 15.9 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.475 0.655 . . . . 71.23 111.414 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.7 mt -98.54 111.26 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 114.725 -1.125 . . . . 72.05 108.626 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 79.1 t -100.76 103.27 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 108.53 -0.915 . . . . 72.31 108.53 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.1 t -94.61 110.74 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 108.627 -0.879 . . . . 74.42 108.627 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 69.7 tt0 -115.32 105.03 12.39 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.975 -0.75 . . . . 75.13 108.975 -173.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -93.63 106.34 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.305 0.642 . . . . 72.45 109.9 -175.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -86.18 121.49 28.85 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.997 0.919 . . . . 72.31 108.836 176.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.442 HG22 ' HG3' ' A' ' 76' ' ' GLU . 10.5 mt -138.51 106.21 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.255 1.022 . . . . 74.21 109.248 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 52.19 31.62 9.4 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.823 1.249 . . . . 75.44 112.891 171.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.56 -19.28 19.4 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.838 -0.619 . . . . 63.33 113.448 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -93.74 109.86 21.51 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.449 0.7 . . . . 74.01 110.148 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -89.92 122.66 33.16 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 108.514 -0.921 . . . . 73.32 108.514 173.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 9.2 t70 -108.62 109.11 20.24 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.585 -0.895 . . . . 70.14 108.585 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -100.39 111.84 24.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.055 0.542 . . . . 62.2 109.842 -170.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.3 mt -114.11 106.8 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.382 1.073 . . . . 75.41 108.296 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -107.61 118.78 37.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.218 0.607 . . . . 73.21 109.7 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG21 HD23 ' A' ' 65' ' ' LEU . 23.1 m -121.82 145.41 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 107.763 -1.199 . . . . 72.33 107.763 170.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.533 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 5.9 mtp-105 -104.26 -65.6 1.01 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.405 0.622 . . . . 75.53 109.581 177.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -122.59 110.07 15.09 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.557 -1.275 . . . . 71.2 107.557 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.508 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pp -128.63 152.28 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 124.434 1.094 . . . . 75.22 109.593 -176.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.5 m -77.53 -176.14 4.12 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.191 0.597 . . . . 72.5 110.767 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.28 -42.4 88.48 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.088 0.555 . . . . 64.12 109.915 173.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.18 -27.35 66.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.094 0.957 . . . . 73.25 110.533 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -89.72 -27.87 19.78 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 115.803 -0.635 . . . . 74.4 112.645 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.574 ' HA ' HD21 ' A' ' 65' ' ' LEU . 3.8 pp -70.06 -32.12 70.06 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.541 -0.911 . . . . 63.12 108.541 174.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 24.6 mmmt -52.58 -38.88 60.83 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 114.362 -1.29 . . . . 75.24 111.194 169.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 34.0 mmtp -59.19 -33.44 70.95 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.453 0.471 . . . . 74.4 110.857 -177.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.574 HD21 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -61.58 -48.65 80.01 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.751 0.657 . . . . 75.5 110.616 -177.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 22' ' ' LEU . 3.6 pp -80.57 -20.6 43.02 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.88 -0.6 . . . . 75.43 111.894 -178.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 5.5 mm-40 -75.27 -31.99 60.91 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.846 -0.427 . . . . 75.23 109.846 173.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 12.7 mtp180 -73.04 -36.46 66.93 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 116.309 -0.405 . . . . 72.54 110.633 173.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 66' ' ' LEU . 98.9 mt -58.36 -45.22 89.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 109.456 -0.572 . . . . 61.44 109.456 171.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -54.69 -43.97 72.96 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.698 -1.137 . . . . 73.31 110.573 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.495 ' HB3' HH21 ' A' ' 75' ' ' ARG . 48.2 mt-10 -54.68 -45.15 73.88 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.237 0.96 . . . . 65.24 110.046 177.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 66.5 mmtt -69.82 -51.27 35.05 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.619 1.2 . . . . 64.04 110.752 -170.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.678 HG23 HG23 ' A' ' 81' ' ' VAL . 2.3 pp -67.01 -30.3 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 115.519 -0.764 . . . . 73.43 111.219 -173.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -79.69 -44.19 21.3 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.977 0.511 . . . . 72.13 111.835 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.495 HH21 ' HB3' ' A' ' 71' ' ' GLU . 19.4 ptp180 -70.12 -26.57 64.02 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.422 0.289 . . . . 74.2 110.964 -176.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HG3' HG22 ' A' ' 45' ' ' ILE . 1.4 tt0 -84.68 -76.58 0.3 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.735 -0.839 . . . . 73.54 108.735 171.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.92 33.34 68.34 Favored Glycine 0 C--N 1.366 2.196 0 O-C-N 123.579 0.549 . . . . 73.12 112.977 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 t -100.63 -68.1 0.83 Allowed 'General case' 0 C--O 1.24 0.56 0 C-N-CA 122.914 0.486 . . . . 62.22 109.99 -173.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.9 t 176.65 -55.93 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.297 0.998 . . . . 73.32 109.955 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -81.16 88.4 6.02 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.027 0.931 . . . . 75.35 111.118 -169.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.678 HG23 HG23 ' A' ' 73' ' ' ILE . 5.2 p -141.63 131.56 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.98 0.912 . . . . 75.51 110.652 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -143.44 126.42 16.33 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.135 0.974 . . . . 74.44 109.516 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.465 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 88.2 t -100.3 114.87 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.346 1.058 . . . . 72.53 109.45 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.45 HD21 ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -103.55 105.84 16.2 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.308 -0.997 . . . . 74.02 108.308 -178.062 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.6 t -95.27 107.46 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 108.583 -0.895 . . . . 61.42 108.583 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.503 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 35.6 m-70 -100.45 124.33 45.83 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 107.522 -1.288 . . . . 62.22 107.522 -177.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.9 t -157.43 111.69 2.65 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.866 -0.42 . . . . 72.31 109.866 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.88 15.83 67.45 Favored Glycine 0 C--N 1.356 1.687 0 O-C-N 124.1 0.875 . . . . 74.22 113.635 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.32 -14.33 43.49 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-O 119.592 -0.56 . . . . 74.4 113.559 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -91.8 126.32 36.85 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 117.5 0.65 . . . . 74.42 110.07 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 84.8 m -113.72 111.39 21.72 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.392 0.677 . . . . 65.13 110.148 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -94.39 115.51 27.72 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.516 -0.92 . . . . 74.0 108.516 173.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.9 p -99.13 126.65 44.93 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.642 0.777 . . . . 71.05 109.779 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.465 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 89.7 m-85 -122.03 107.44 12.22 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.134 0.974 . . . . 72.42 110.684 -173.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -99.02 153.99 18.44 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 108.376 -0.972 . . . . 74.33 108.376 171.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.75 124.88 22.59 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 123.676 0.61 . . . . 74.1 110.57 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.492 -0.766 . . . . 74.3 109.285 176.642 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 109.511 -0.551 . . . . 74.33 109.511 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.68 -155.11 52.15 Favored Glycine 0 C--N 1.355 1.595 0 O-C-N 123.709 0.63 . . . . 71.5 112.357 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -136.9 115.45 11.96 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.502 -0.555 . . . . 73.41 109.502 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -78.79 164.54 24.44 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.907 0.483 . . . . 73.43 110.329 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -88.9 134.64 33.89 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.475 0.71 . . . . 74.44 109.301 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -77.92 128.96 34.74 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.107 0.963 . . . . 74.51 110.455 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -125.76 132.6 52.28 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.284 1.034 . . . . 74.43 109.052 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -146.42 160.36 42.18 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.945 0.898 . . . . 74.21 109.953 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.51 164.25 23.12 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.785 0.834 . . . . 74.23 109.12 172.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -49.64 101.44 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.943 1.297 . . . . 74.33 111.804 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.37 106.08 2.38 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.381 0.672 . . . . 73.02 109.694 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -75.04 88.01 2.38 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.522 0.677 . . . . 73.23 110.867 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -67.34 -28.82 68.29 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 114.548 -1.206 . . . . 73.31 111.371 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.27 98.77 0.06 Allowed 'General case' 0 C--N 1.354 0.788 0 O-C-N 124.231 0.957 . . . . 62.12 110.16 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 74' ' ' GLU . 17.6 m -86.81 117.64 25.69 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.447 -0.797 . . . . 74.23 110.06 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -66.04 -29.51 69.88 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.347 1.059 . . . . 74.51 110.701 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.9 ttp -137.77 137.26 38.06 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.812 0.845 . . . . 74.34 108.787 172.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -142.45 -22.66 0.67 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.816 0.846 . . . . 64.2 110.045 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -85.12 91.99 8.26 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.362 0.665 . . . . 73.11 111.051 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -137.69 -63.77 0.57 Allowed 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.663 -1.236 . . . . 74.32 107.663 167.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.48 -20.0 62.13 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.652 174.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' HB3' HD13 ' A' ' 66' ' ' LEU . 85.9 mt -65.6 -38.14 88.63 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 123.266 0.626 . . . . 73.43 111.231 175.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 33.1 tt0 -61.98 -33.49 74.41 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.616 0.573 . . . . 71.15 110.354 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -62.31 -42.34 99.29 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.162 0.585 . . . . 72.14 110.156 172.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.97 -30.6 67.99 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.519 -0.764 . . . . 75.14 109.522 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -64.71 -47.92 76.56 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.178 0.991 . . . . 75.45 110.237 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.8 mm-40 -64.96 -36.82 85.62 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.226 0.954 . . . . 75.04 110.307 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 40.6 tp -65.06 -52.59 54.89 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.452 -0.794 . . . . 55.42 110.51 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.618 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 21.0 m-85 -62.48 -34.22 76.42 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.543 0.737 . . . . 70.21 111.135 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.87 -38.65 91.69 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.794 0.838 . . . . 73.32 111.29 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 29.2 tt0 -72.52 -24.25 61.12 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.554 0.742 . . . . 62.44 110.499 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 82.2 mt -85.96 -32.11 21.73 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 121.515 0.674 . . . . 75.23 110.2 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -59.07 -38.25 78.98 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.638 1.575 . . . . 74.41 111.691 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 12.6 pt-20 -56.37 -27.55 56.45 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 123.931 0.769 . . . . 71.1 112.263 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -116.35 -8.74 11.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.403 0.681 . . . . 74.14 111.396 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.67 36.9 93.36 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 123.278 0.466 . . . . 74.3 113.819 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 t -68.93 164.37 22.36 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.695 0.798 . . . . 74.31 111.72 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.588 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 8.6 pt-20 -74.96 100.21 4.07 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.778 -0.646 . . . . 71.33 110.647 177.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.9 mt -94.54 110.8 24.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 108.761 -0.829 . . . . 74.23 108.761 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 47.2 t -100.59 104.47 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 107.86 -1.163 . . . . 74.05 107.86 176.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.9 t -91.73 128.11 43.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 108.708 -0.849 . . . . 61.02 108.708 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 88.6 tt0 -138.78 114.4 9.83 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.343 1.057 . . . . 75.44 108.264 -170.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 41.6 t -107.98 141.02 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.004 -0.739 . . . . 75.43 109.004 177.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -129.6 112.29 13.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.467 -1.309 . . . . 74.35 107.467 173.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.539 HG12 ' HA ' ' A' ' 81' ' ' VAL . 56.9 mt -137.52 117.52 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 117.955 0.343 . . . . 72.1 110.089 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 71.0 2.44 4.23 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.307 1.443 . . . . 65.02 113.419 172.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.03 -20.09 9.28 Favored Glycine 0 C--N 1.343 0.951 0 N-CA-C 111.794 -0.522 . . . . 60.32 111.794 -172.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -78.92 137.76 37.78 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.535 0.734 . . . . 74.33 109.196 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -121.24 153.18 37.97 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.402 0.62 . . . . 74.41 110.482 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 25.1 t0 -132.12 137.56 47.74 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.482 1.513 . . . . 64.13 106.98 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -143.19 119.12 10.61 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.736 -0.468 . . . . 74.23 109.736 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.5 mt -136.7 123.45 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 107.219 -1.4 . . . . 74.13 107.219 -176.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HG3' HG11 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -115.9 119.47 36.05 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.435 -0.95 . . . . 74.52 108.435 179.694 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -122.82 139.5 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.673 0.789 . . . . 74.14 110.025 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.588 ' HG2' ' HB3' ' A' ' 38' ' ' GLU . 64.1 mtt180 -127.51 134.33 49.79 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.23 1.012 . . . . 74.23 108.725 174.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.405 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER 54.53 67.47 1.01 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.446 1.098 . . . . 74.22 111.233 177.391 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.59 HD11 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -107.57 157.79 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 115.54 -0.755 . . . . 74.53 110.55 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.3 m -104.87 -175.57 2.83 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.498 0.719 . . . . 75.22 110.556 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -66.39 -33.35 75.51 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 114.08 1.141 . . . . 75.03 114.08 -166.649 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -87.05 -29.54 21.84 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 122.248 -0.283 . . . . 72.12 110.697 178.094 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.66 -42.85 85.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.787 -0.642 . . . . 71.13 111.11 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.618 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 4.6 pp -66.25 -29.16 69.34 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.759 0.424 . . . . 74.33 110.922 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.493 ' HD2' HD21 ' A' ' 66' ' ' LEU . 10.1 mmmm -59.72 -33.41 71.59 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.193 -0.912 . . . . 74.0 110.962 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -66.21 -25.62 67.01 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.25 0.344 . . . . 73.14 110.638 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.613 HD21 ' HA ' ' A' ' 62' ' ' LEU . 4.1 mm? -68.3 -51.37 45.58 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.687 0.617 . . . . 74.32 110.483 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.493 HD21 ' HD2' ' A' ' 63' ' ' LYS . 3.8 pp -69.7 -26.01 64.15 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.625 0.25 . . . . 74.22 110.715 177.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 43.7 mt-10 -75.31 -22.67 57.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.37 0.668 . . . . 72.32 111.603 176.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -74.48 -41.25 61.07 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.0 0.52 . . . . 74.11 109.744 170.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.24 -42.48 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.069 0.948 . . . . 74.55 110.687 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 5.7 ppt_? -60.62 -35.88 77.23 Favored 'General case' 0 C--N 1.361 1.096 0 CA-C-N 115.717 -0.674 . . . . 73.41 111.09 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.35 -43.19 99.41 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.329 1.018 . . . . 72.34 109.542 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -64.91 -50.2 67.45 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 123.336 0.397 . . . . 73.33 110.255 -176.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.0 pt -68.55 -31.81 52.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 115.66 -0.7 . . . . 75.12 111.74 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HB2' ' OG ' ' A' ' 15' ' ' SER . 6.2 pt-20 -87.93 -28.21 21.65 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.106 0.78 . . . . 74.03 113.106 -177.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.6 mtp-105 -77.33 -43.21 33.83 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 110.23 -0.285 . . . . 74.41 110.23 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -73.48 -54.32 8.53 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 109.403 -0.591 . . . . 62.51 109.403 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.52 25.73 61.18 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 124.212 0.945 . . . . 75.02 114.301 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.7 t -101.45 175.72 5.48 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.616 0.766 . . . . 74.44 110.301 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.8 m -73.7 -26.95 60.96 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.611 0.764 . . . . 72.12 112.082 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 4.8 mp0 -79.93 58.49 2.91 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.156 0.983 . . . . 72.31 112.632 -172.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.539 ' HA ' HG12 ' A' ' 45' ' ' ILE . 95.1 t -99.77 129.53 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.843 -0.536 . . . . 74.11 111.2 -175.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -140.32 126.6 19.91 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.475 -0.935 . . . . 71.44 108.475 174.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 59.2 t -115.39 143.42 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 107.801 -1.185 . . . . 63.02 107.801 173.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.426 ' ND2' HG23 ' A' ' 93' ' ' THR . 5.8 t-20 -143.82 113.87 7.3 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.777 -0.453 . . . . 75.01 109.777 -173.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.6 t -111.81 110.86 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.437 -0.579 . . . . 72.3 109.437 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.543 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 30.3 m-70 -94.49 150.24 20.45 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.676 -1.231 . . . . 74.41 107.676 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 37.7 p -160.46 104.12 1.42 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 122.598 0.359 . . . . 74.03 110.056 173.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 65.7 -85.9 0.09 OUTLIER Glycine 0 C--N 1.345 1.083 0 O-C-N 123.564 0.54 . . . . 72.21 112.294 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.29 4.44 5.23 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-O 119.602 -0.555 . . . . 74.14 113.637 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -114.78 123.95 50.53 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 117.865 0.833 . . . . 64.54 110.277 177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.3 m -122.39 134.45 54.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.911 0.885 . . . . 74.43 109.312 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.5 m-90 -111.43 116.55 31.11 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.137 0.975 . . . . 75.01 108.947 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.426 HG23 ' ND2' ' A' ' 84' ' ' ASN . 40.2 p -93.32 103.18 15.44 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.778 0.831 . . . . 73.3 109.263 176.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.412 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 77.5 m-85 -91.35 108.61 20.01 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.27 -1.011 . . . . 74.22 108.27 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -100.43 148.22 24.98 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.443 0.697 . . . . 65.41 109.754 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.02 135.36 57.5 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.995 0.809 . . . . 75.51 110.378 173.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt . . . . . 0 CA--C 1.555 1.162 0 CA-C-O 118.705 -0.664 . . . . 72.42 109.6 -171.891 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 pt? . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 110.202 -0.296 . . . . 73.32 110.202 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.455 ' HB3' HD13 ' A' ' 66' ' ' LEU . 85.8 mt -69.02 -42.76 75.96 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.313 0.645 . . . . 71.41 111.274 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.65 -37.73 85.12 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 110.105 -0.332 . . . . 71.41 110.105 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mmm-85 -60.04 -30.2 69.03 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.669 0.787 . . . . 74.43 111.247 174.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 83.6 mt -77.41 -35.05 54.54 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 109.615 -0.513 . . . . 64.24 109.615 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HB2' HD22 ' A' ' 66' ' ' LEU . 25.3 ttt180 -70.23 -24.05 63.02 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 122.487 0.315 . . . . 75.24 110.984 178.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -62.31 -42.35 99.3 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.337 -0.616 . . . . 73.53 109.337 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -72.3 -38.75 68.66 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 123.962 0.788 . . . . 74.42 110.799 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -64.66 -47.04 79.9 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 122.849 0.46 . . . . 72.33 111.025 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -68.97 -30.57 69.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.572 1.149 . . . . 74.12 111.588 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.72 -53.22 35.66 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.174 0.59 . . . . 72.2 109.884 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.38 -19.99 64.66 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.184 0.994 . . . . 74.31 111.614 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.0 -17.76 58.22 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.258 1.023 . . . . 73.4 111.285 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.06 -39.67 72.4 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 123.563 0.745 . . . . 71.13 110.945 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -30.73 12.41 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 109.377 -0.601 . . . . 71.45 109.377 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.66 38.02 93.17 Favored Glycine 0 C--N 1.358 1.784 0 O-C-N 123.95 0.781 . . . . 62.15 112.976 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 t -77.49 -169.92 1.61 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.337 0.655 . . . . 54.35 110.888 -174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.24 88.6 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.857 0.863 . . . . 75.15 110.688 171.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 71.9 mt -94.43 108.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 107.443 -1.317 . . . . 73.14 107.443 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 60.4 t -104.53 107.35 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 109.13 -0.692 . . . . 73.44 109.13 -176.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.527 HG21 HD13 ' A' ' 65' ' ' LEU . 48.9 t -92.48 110.19 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 108.709 -0.849 . . . . 54.34 108.709 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 84' ' ' ASN . 9.8 tp10 -116.57 126.43 53.28 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.643 1.177 . . . . 74.33 108.87 -172.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 78.1 t -124.19 101.53 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.605 0.762 . . . . 71.03 109.007 -174.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 84.4 m-70 -96.41 110.98 23.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.027 0.931 . . . . 72.44 109.151 175.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mt -125.87 114.64 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 122.6 0.36 . . . . 60.13 110.061 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 71.68 -72.05 0.12 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 126.029 1.732 . . . . 70.34 111.5 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.16 11.06 0.26 Allowed Glycine 0 N--CA 1.471 1.015 0 CA-C-N 115.281 -0.872 . . . . 75.04 112.46 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -110.57 139.04 46.19 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 107.744 -1.206 . . . . 62.14 107.744 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 12.1 ptt180 -127.1 151.28 48.84 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.724 -0.472 . . . . 70.41 109.724 174.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.83 114.05 11.48 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.675 -0.861 . . . . 61.02 108.675 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -109.77 119.82 40.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.226 1.01 . . . . 74.45 109.254 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.4 mt -119.09 107.56 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 108.587 -0.894 . . . . 72.54 108.587 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.69 106.16 18.15 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 108.451 -0.944 . . . . 75.33 108.451 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.446 HG21 HD11 ' A' ' 65' ' ' LEU . 16.9 m -113.51 117.8 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.29 0.636 . . . . 74.12 109.489 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -121.73 110.7 16.26 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.412 -0.959 . . . . 70.34 108.412 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 63.4 73.76 0.44 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.726 1.21 . . . . 51.42 110.421 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -115.84 172.25 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.17 -0.923 . . . . 64.13 111.212 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.516 ' HB2' ' HG2' ' A' ' 61' ' ' GLU . 23.0 m -96.72 170.25 9.32 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.755 0.822 . . . . 74.1 110.659 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -27.75 66.76 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.684 0.794 . . . . 72.02 111.4 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -79.03 -19.85 50.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.337 1.055 . . . . 64.5 110.994 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' A' ' 58' ' ' SER . 27.0 mm-40 -81.37 -47.55 13.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.649 0.38 . . . . 73.43 109.98 176.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.77 -19.75 61.3 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.268 0.84 . . . . 72.5 113.268 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -63.78 -29.14 70.38 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.95 0.405 . . . . 73.41 110.016 172.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 14.8 mmmm -66.84 -26.5 66.95 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 123.23 0.612 . . . . 63.21 111.182 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD13 HG21 ' A' ' 41' ' ' VAL . 84.0 mt -61.75 -54.82 37.25 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.9 0.48 . . . . 61.35 110.556 -176.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 26' ' ' ARG . 1.9 pp -69.75 -30.55 68.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.57 0.748 . . . . 63.24 111.149 177.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.78 -14.13 61.9 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.099 0.96 . . . . 70.33 110.974 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 40.1 mtp180 -87.79 -35.16 18.01 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 121.871 -0.518 . . . . 74.43 110.773 165.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 65' ' ' LEU . 81.8 mt -63.51 -36.63 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.314 0.646 . . . . 71.32 110.861 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 34.3 ptt180 -54.81 -41.39 70.57 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 123.659 0.599 . . . . 72.15 109.801 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 45.6 mt-10 -66.7 -30.81 71.14 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.078 0.951 . . . . 71.15 109.812 -175.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -75.12 -43.4 52.89 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 115.552 -0.749 . . . . 53.3 109.168 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 pp -77.75 -19.07 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 CA-C-N 116.281 -0.418 . . . . 75.52 111.463 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 63.3 mm-40 -72.65 -51.95 17.36 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.743 0.417 . . . . 71.42 110.136 173.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.462 ' HG3' ' HG2' ' A' ' 76' ' ' GLU . 14.5 ptm180 -69.56 -35.91 75.84 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.97 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.462 ' HG2' ' HG3' ' A' ' 75' ' ' ARG . 48.1 mm-40 -94.77 -59.24 1.96 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.75 0.42 . . . . 74.35 110.593 -177.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.04 25.37 67.97 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-N 116.095 -0.502 . . . . 71.52 113.701 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.4 m -98.76 152.29 19.85 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.545 0.738 . . . . 54.43 111.176 -172.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.5 t -67.94 -26.59 66.03 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.098 0.959 . . . . 74.51 110.947 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.44 77.08 2.49 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.01 -0.737 . . . . 75.3 109.01 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 p -135.41 134.24 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.598 0.759 . . . . 62.12 109.663 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 28.0 tt0 -138.47 112.37 8.44 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.537 1.135 . . . . 75.3 108.02 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.3 t -99.59 130.36 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 107.114 -1.439 . . . . 71.52 107.114 170.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.47 ' HB3' ' HB3' ' A' ' 42' ' ' GLU . 49.4 t-20 -138.45 105.5 5.44 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.309 -0.997 . . . . 61.03 108.309 -161.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.64 123.42 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 N-CA-C 108.91 -0.774 . . . . 71.42 108.91 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 65.7 m-70 -109.98 146.99 34.32 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.964 -1.125 . . . . 71.14 107.964 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.3 p -157.61 103.6 1.93 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 109.126 -0.694 . . . . 73.35 109.126 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 59.28 33.39 75.33 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.266 -0.424 . . . . 72.31 113.151 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.35 -17.98 56.06 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-O 119.944 -0.365 . . . . 52.54 113.21 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 89.5 mt-30 -80.91 122.53 27.35 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.004 0.521 . . . . 73.42 110.405 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.2 m -116.69 139.26 50.75 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.673 0.789 . . . . 70.33 110.998 -171.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -135.6 124.14 23.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.788 1.235 . . . . 71.11 108.667 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 p -109.54 111.76 23.46 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.041 0.537 . . . . 73.31 111.077 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -96.03 109.13 21.59 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.941 1.296 . . . . 60.12 109.081 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.477 0.922 0 C-N-CA 124.002 0.921 . . . . 62.2 109.268 179.114 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 121.255 0.55 . . . . 72.05 110.524 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 66' ' ' LEU . 57.3 mt -63.47 -45.19 91.93 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.687 -1.142 . . . . 62.25 112.687 -164.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -72.37 -17.55 61.81 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.857 -0.61 . . . . 73.3 111.18 -172.29 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -61.98 -40.61 96.22 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.602 0.715 . . . . 61.31 109.53 168.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.59 -30.03 65.36 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.588 -1.187 . . . . 44.53 109.476 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -59.32 -45.7 90.59 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.23 0.331 . . . . 70.03 110.2 172.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 11.6 mm100 -60.19 -30.84 69.62 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.759 0.662 . . . . 70.13 110.799 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.2 tp -72.49 -43.53 63.5 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.874 -0.603 . . . . 70.23 110.494 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.536 ' HB2' HD13 ' A' ' 62' ' ' LEU . 16.6 m-30 -68.47 -22.46 64.56 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.918 0.487 . . . . 71.11 110.573 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -80.3 -36.79 33.84 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.274 1.029 . . . . 73.13 109.33 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -61.93 -32.91 73.36 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.294 0.637 . . . . 73.45 109.991 171.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HA ' ' HD3' ' A' ' 35' ' ' ARG . 77.9 mt -87.68 -22.9 24.39 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.022 0.929 . . . . 71.5 111.852 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -53.63 -38.06 63.7 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.387 1.075 . . . . 61.43 112.551 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.87 -36.35 76.72 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.449 -0.796 . . . . 75.25 112.766 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.03 -26.47 16.77 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.665 -0.495 . . . . 72.13 109.665 178.462 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.62 24.35 64.03 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.981 0.801 . . . . 71.35 114.052 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.0 t -76.63 -177.74 4.39 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.983 0.513 . . . . 74.23 110.999 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.78 100.74 0.06 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.189 0.996 . . . . 72.31 112.219 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.456 HD12 HD11 ' A' ' 57' ' ' ILE . 59.0 mt -95.91 113.47 30.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 N-CA-C 107.874 -1.158 . . . . 64.31 107.874 172.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.488 HG22 ' HG2' ' A' ' 53' ' ' ARG . 21.4 t -107.32 105.48 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.823 -0.806 . . . . 75.41 108.823 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 65' ' ' LEU . 72.4 t -92.58 110.93 23.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.172 -1.047 . . . . 63.44 108.172 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 41.2 tt0 -118.38 108.84 15.55 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.82 0.448 . . . . 71.54 110.455 -174.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.488 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 38.8 t -96.7 102.08 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.011 0.925 . . . . 75.01 109.626 -174.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 28.3 m-70 -90.45 106.19 18.33 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 109.003 -0.74 . . . . 60.31 109.003 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 43.8 mt -127.9 119.06 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 122.91 0.484 . . . . 53.2 110.387 175.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 58.96 31.17 21.1 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.799 1.24 . . . . 64.42 112.004 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.33 -20.97 44.85 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.462 -0.79 . . . . 34.15 113.416 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.35 118.39 24.86 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.147 0.579 . . . . 73.24 110.707 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -94.59 113.04 24.8 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.582 0.706 . . . . 61.45 109.684 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 8.9 t70 -85.36 136.4 33.48 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 107.362 -1.347 . . . . 63.54 107.362 172.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -129.43 114.12 15.76 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.166 0.439 . . . . 73.43 110.215 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.417 HD13 ' HD2' ' A' ' 68' ' ' ARG . 9.6 mt -122.36 131.63 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 107.927 -1.138 . . . . 74.53 107.927 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.488 ' HG2' HG22 ' A' ' 40' ' ' VAL . 54.9 mtt180 -125.95 130.19 50.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.651 0.78 . . . . 71.31 109.371 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 65' ' ' LEU . 9.7 p -140.84 141.52 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 122.815 0.446 . . . . 73.35 111.046 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.11 139.04 53.7 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.299 1.039 . . . . 73.44 108.817 175.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 56.15 83.65 0.09 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.939 1.296 . . . . 75.35 111.777 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.616 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.1 pp -146.11 151.69 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 115.402 -0.817 . . . . 70.33 110.681 -175.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 m -97.52 178.6 5.13 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.299 1.039 . . . . 62.22 109.868 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -53.1 -49.12 67.12 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.585 1.154 . . . . 63.0 113.889 -169.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -29.82 63.04 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 118.192 0.451 . . . . 72.14 111.509 -175.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.29 -49.83 52.36 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.427 -0.806 . . . . 74.14 110.796 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.616 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.3 pp -71.52 -21.11 61.96 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.396 0.278 . . . . 72.3 110.861 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 21.9 mtpp -64.66 -27.99 69.31 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 119.527 -0.273 . . . . 72.24 111.065 171.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.47 -27.36 68.51 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 117.816 0.28 . . . . 54.21 111.004 175.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.557 ' HB3' HG21 ' A' ' 41' ' ' VAL . 57.3 mt -64.67 -47.65 77.65 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.291 0.636 . . . . 61.53 110.439 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 3.8 pp -81.34 -22.62 38.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.333 -0.848 . . . . 73.41 111.705 -177.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HG2' ' NH2' ' A' ' 70' ' ' ARG . 53.4 mt-10 -77.19 -22.28 52.66 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.124 0.57 . . . . 71.15 110.281 173.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 51.2 mtt180 -70.67 -43.89 68.18 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 122.93 0.492 . . . . 74.41 109.804 167.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.73 -40.14 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.452 0.701 . . . . 75.43 110.032 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' NH2' ' HG2' ' A' ' 67' ' ' GLU . 37.8 ttm180 -51.34 -49.85 60.61 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.322 1.049 . . . . 54.44 111.577 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.33 -38.96 85.39 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 115.173 -0.921 . . . . 75.43 110.53 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 30.0 mmtp -69.62 -49.56 52.7 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 109.988 -0.375 . . . . 72.31 109.988 -173.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.0 pt -75.47 -35.53 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 123.563 0.745 . . . . 73.52 112.29 -170.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -83.36 -44.62 14.65 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.752 0.421 . . . . 61.11 111.076 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -77.06 -18.79 57.82 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.601 0.36 . . . . 72.25 111.419 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.14 -44.64 21.57 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.441 -0.578 . . . . 75.23 109.441 165.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.54 -46.66 3.36 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.647 -0.706 . . . . 74.01 111.895 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.3 t -56.19 126.2 25.1 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.281 1.033 . . . . 75.13 110.54 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.2 p -84.35 11.75 7.9 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.56 0.744 . . . . 62.3 111.284 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 6.9 tp10 -73.56 78.29 1.47 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.839 -0.8 . . . . 63.11 108.839 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.9 118.99 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 121.809 0.814 . . . . 61.24 111.023 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 34.0 tt0 -115.87 111.53 20.59 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.687 1.595 . . . . 74.31 106.979 174.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.2 t -98.95 114.28 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 109.206 -0.664 . . . . 63.14 109.206 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -99.52 108.63 21.11 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.33 -0.989 . . . . 74.32 108.33 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -94.61 107.71 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 108.012 -1.107 . . . . 75.51 108.012 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.452 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 15.8 m-70 -102.03 116.19 32.16 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.751 -1.203 . . . . 75.22 107.751 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 t -143.36 112.06 6.46 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.184 -0.673 . . . . 52.11 109.184 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.01 23.83 74.46 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 124.013 0.821 . . . . 62.24 112.674 -172.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.76 -10.99 73.34 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 123.201 0.429 . . . . 73.23 113.6 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -85.32 121.98 28.84 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.147 0.579 . . . . 50.01 109.993 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 83.7 m -109.2 126.75 53.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.113 0.965 . . . . 73.34 110.05 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -117.74 116.43 27.01 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.628 -0.879 . . . . 73.41 108.628 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.6 p -99.59 106.02 17.94 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.914 0.885 . . . . 72.44 111.794 -172.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -91.99 115.57 28.18 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.141 0.976 . . . . 73.04 109.489 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.3 m120 . . . . . 0 N--CA 1.482 1.126 0 C-N-CA 123.491 0.716 . . . . 73.5 110.341 -175.585 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 121.725 0.774 . . . . 65.2 110.327 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 70' ' ' ARG . 75.2 mt -70.9 -28.98 64.93 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.624 -1.171 . . . . 74.24 111.384 -176.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -62.54 -30.56 71.39 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.079 0.466 . . . . 74.11 110.668 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -63.69 -41.85 98.09 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.331 -0.85 . . . . 73.04 109.359 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.0 mt -73.73 -33.13 64.21 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.715 -1.13 . . . . 70.15 109.097 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.611 ' HB2' HD11 ' A' ' 66' ' ' LEU . 33.9 ttt180 -64.39 -48.71 74.4 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.052 0.941 . . . . 74.12 111.8 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.21 -32.5 71.17 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 123.441 0.463 . . . . 74.42 111.569 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.9 tp -67.34 -48.81 66.41 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.832 -0.622 . . . . 74.35 109.593 170.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' A' ' 33' ' ' HIS . 21.2 m-30 -57.8 -30.99 66.15 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.079 0.552 . . . . 65.24 111.561 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 33' ' ' HIS . 78.6 mm-40 -73.26 -43.31 61.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.102 0.561 . . . . 73.34 109.907 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.53 -30.61 68.72 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.089 0.956 . . . . 74.42 111.152 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 51.1 mt -84.97 -45.76 11.87 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.359 -0.837 . . . . 73.45 110.508 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -66.27 -27.48 67.97 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.209 0.603 . . . . 73.04 111.329 -173.553 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.3 -26.43 62.85 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.772 -0.649 . . . . 74.22 111.247 -176.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.7 ptm180 -100.82 -15.13 17.72 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.755 0.422 . . . . 74.23 110.571 177.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.26 29.54 40.49 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.608 0.567 . . . . 73.43 113.597 172.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -84.85 156.24 21.39 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 109.358 -0.608 . . . . 54.42 109.358 171.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.82 143.93 45.74 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.788 0.435 . . . . 74.33 110.665 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.53 HD12 HD11 ' A' ' 57' ' ' ILE . 47.5 mt -117.0 109.01 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 109.086 -0.709 . . . . 74.41 109.086 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 62.5 t -97.69 106.07 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 108.361 -0.978 . . . . 73.12 108.361 173.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.411 HG11 HD11 ' A' ' 69' ' ' ILE . 48.4 t -94.06 137.85 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.3 -1.0 . . . . 74.13 108.3 177.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 78.6 tt0 -139.08 108.13 6.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 117.84 0.291 . . . . 73.01 111.035 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.535 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 58.8 t -90.73 103.82 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 124.374 1.07 . . . . 64.44 110.188 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -89.11 111.86 22.72 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.783 0.833 . . . . 62.11 109.843 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.533 HG21 ' HG3' ' A' ' 76' ' ' GLU . 45.0 mt -120.02 107.82 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 109.172 -0.677 . . . . 60.11 109.172 173.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 m120 63.86 -71.93 0.06 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.506 1.523 . . . . 75.42 111.299 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.82 -7.43 0.36 Allowed Glycine 0 N--CA 1.471 0.985 0 CA-C-N 115.901 -0.59 . . . . 64.35 113.1 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.8 143.16 31.97 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.439 0.696 . . . . 75.11 109.918 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -127.5 117.02 21.31 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.366 0.667 . . . . 73.31 109.243 173.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.535 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 19.3 t70 -97.78 110.65 23.18 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.105 -1.072 . . . . 61.13 108.105 175.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -117.13 115.26 25.0 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.747 -0.464 . . . . 72.1 109.747 -174.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.7 mt -121.89 122.92 68.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 124.448 1.099 . . . . 70.25 108.581 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.539 ' HG2' HG13 ' A' ' 40' ' ' VAL . 58.4 mtt180 -113.0 118.36 34.59 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.367 0.667 . . . . 65.14 109.5 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 65' ' ' LEU . 24.3 m -114.03 150.24 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.851 0.86 . . . . 71.0 110.23 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -134.9 116.7 15.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.795 0.838 . . . . 64.31 109.884 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 58.79 82.85 0.13 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.561 1.144 . . . . 75.22 111.157 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.573 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -123.16 162.98 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.922 0.889 . . . . 74.21 110.913 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m -102.35 -176.08 3.01 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.763 0.825 . . . . 72.12 111.226 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -60.88 -39.26 88.56 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 113.726 1.01 . . . . 74.35 113.726 -171.171 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -28.81 24.9 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.233 0.469 . . . . 54.55 110.004 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -61.24 -43.11 99.41 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.553 0.741 . . . . 52.23 111.674 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.4 pp -74.41 -23.74 59.0 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.555 -0.293 . . . . 61.42 110.284 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 79.0 mttt -68.31 -20.37 64.74 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 122.229 -0.294 . . . . 72.25 110.817 170.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 13.6 mmmm -70.76 -29.9 66.25 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.851 -0.796 . . . . 63.41 108.851 173.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 93.5 mt -65.95 -44.67 84.34 Favored 'General case' 0 C--N 1.368 1.375 0 N-CA-C 109.067 -0.716 . . . . 75.41 109.067 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.611 HD11 ' HB2' ' A' ' 26' ' ' ARG . 84.9 mt -58.13 -39.06 77.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.893 -1.049 . . . . 74.23 111.082 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 49.2 mt-10 -71.16 -33.76 70.32 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.761 -0.654 . . . . 74.4 111.059 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 5.6 mmp_? -67.03 -37.69 84.57 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.621 0.191 . . . . 74.05 110.888 175.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.411 HD11 HG11 ' A' ' 41' ' ' VAL . 74.4 mt -68.18 -45.5 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.687 0.795 . . . . 75.13 109.854 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.512 ' HB3' HD11 ' A' ' 22' ' ' LEU . 20.7 ptt180 -62.89 -35.43 80.0 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 116.191 -0.458 . . . . 74.43 110.036 -174.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 49.2 mm-40 -55.1 -44.58 75.05 Favored 'General case' 0 C--N 1.367 1.345 0 O-C-N 123.637 0.585 . . . . 71.11 109.607 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -69.51 -53.66 17.99 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 124.294 0.996 . . . . 73.34 110.223 -172.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.629 HG22 HG21 ' A' ' 81' ' ' VAL . 23.0 pt -67.12 -25.73 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 CA-C-N 115.654 -0.703 . . . . 75.42 111.871 -173.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -88.05 -43.22 11.87 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.642 0.608 . . . . 75.01 112.642 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 15.0 ptm180 -62.79 -39.36 93.98 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.311 0.244 . . . . 74.13 110.352 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.533 ' HG3' HG21 ' A' ' 45' ' ' ILE . 13.4 mm-40 -82.35 -57.13 3.5 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 109.615 -0.513 . . . . 75.21 109.615 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.66 10.41 84.79 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-N 115.669 -0.696 . . . . 61.33 113.274 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 p -86.45 142.62 28.27 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 123.802 0.841 . . . . 71.13 111.389 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.0 m -85.1 60.91 6.54 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.958 0.885 . . . . 60.12 109.744 170.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -148.58 29.56 0.84 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.247 -1.342 . . . . 74.33 107.87 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.629 HG21 HG22 ' A' ' 73' ' ' ILE . 2.6 p -105.21 112.74 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.965 0.888 . . . . 72.33 110.266 175.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -107.3 121.62 44.92 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.398 1.479 . . . . 73.35 107.936 170.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 59.2 t -96.29 145.05 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 106.946 -1.502 . . . . 73.4 106.946 176.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -129.23 109.94 11.55 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.506 -1.294 . . . . 63.12 107.506 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.5 t -91.99 130.13 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.655 -0.869 . . . . 51.51 108.655 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.607 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 11.0 m-70 -123.76 127.57 48.31 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 106.422 -1.696 . . . . 73.34 106.422 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -158.42 124.93 4.73 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.425 0.557 . . . . 73.43 110.981 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.45 28.57 71.38 Favored Glycine 0 C--N 1.354 1.549 0 O-C-N 124.036 0.835 . . . . 44.43 114.421 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.25 -20.62 49.77 Favored Glycine 0 C--N 1.346 1.091 0 CA-C-O 119.852 -0.415 . . . . 71.15 113.267 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.45 153.75 25.5 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.069 0.547 . . . . 75.33 111.138 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.7 m -141.97 132.83 25.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.423 1.089 . . . . 74.23 108.942 172.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -118.45 147.19 43.85 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.567 0.747 . . . . 64.55 109.043 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.0 m -101.32 133.88 45.24 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.64 0.776 . . . . 75.24 109.57 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.413 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 69.9 m-85 -125.84 120.53 30.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.264 1.026 . . . . 74.23 109.135 -175.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 N--CA 1.478 0.957 0 C-N-CA 123.241 0.617 . . . . 62.25 110.156 178.51 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 110.191 -0.3 . . . . 63.43 110.191 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 70' ' ' ARG . 52.0 mt -85.5 -37.13 20.04 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.794 1.405 . . . . 62.53 114.794 -166.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 40.0 tt0 -63.22 -37.23 86.41 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 118.677 0.672 . . . . 73.34 111.195 -174.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -66.73 -29.22 69.15 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 116.069 -0.514 . . . . 73.3 110.799 174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.79 -40.94 72.28 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 109.115 -0.698 . . . . 75.41 109.115 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -52.93 -50.12 64.63 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 124.192 0.933 . . . . 74.45 109.924 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 81.4 mm-40 -62.96 -37.22 86.24 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.52 1.137 . . . . 62.13 110.967 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.36 -42.01 93.23 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.266 0.626 . . . . 73.31 110.303 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.465 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 37.2 m-85 -72.99 -37.93 66.83 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.165 0.586 . . . . 73.3 110.917 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.1 -35.08 77.61 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.558 0.743 . . . . 74.22 110.129 174.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -70.42 -55.8 8.17 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.231 -0.895 . . . . 74.15 110.102 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 83.7 mt -64.63 -17.8 64.36 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.424 1.09 . . . . 73.22 112.077 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -58.43 -20.72 47.07 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 124.174 0.99 . . . . 71.31 112.003 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -56.46 -38.73 72.07 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.748 1.219 . . . . 73.03 111.705 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.443 ' HG3' HG23 ' A' ' 37' ' ' THR . 5.9 ptm180 -112.64 -20.2 11.78 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.265 1.026 . . . . 75.42 110.491 -169.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.16 37.72 87.35 Favored Glycine 0 C--N 1.352 1.434 0 O-C-N 124.138 0.899 . . . . 72.31 113.298 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.443 HG23 ' HG3' ' A' ' 35' ' ' ARG . 12.8 p -69.18 153.86 43.0 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.914 0.486 . . . . 71.23 111.001 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.16 102.17 1.62 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.047 0.927 . . . . 75.14 109.46 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.1 mt -92.48 112.92 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 114.387 -1.279 . . . . 61.53 108.867 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 41.8 t -101.56 102.84 14.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.265 -1.383 . . . . 73.54 107.265 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.2 t -93.49 110.98 24.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 108.033 -1.099 . . . . 74.32 108.033 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 14.7 tp10 -111.63 105.75 14.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.271 1.028 . . . . 75.04 108.67 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 38.1 t -89.82 134.27 29.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 N-CA-C 107.681 -1.229 . . . . 71.22 107.681 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 65.2 m170 -130.6 108.88 10.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.424 1.089 . . . . 63.02 108.785 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.492 HG12 ' HA ' ' A' ' 81' ' ' VAL . 35.1 mt -139.22 97.3 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.654 0.781 . . . . 65.43 109.843 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.9 m120 56.67 26.84 11.72 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.711 1.205 . . . . 72.35 113.754 169.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.0 -26.87 8.09 Favored Glycine 0 N--CA 1.469 0.875 0 N-CA-C 111.9 -0.48 . . . . 62.25 111.9 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -78.39 107.18 10.83 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.047 0.539 . . . . 72.2 109.731 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 35.7 ptt180 -111.39 151.01 28.98 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.691 -0.686 . . . . 64.22 109.332 176.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -146.71 114.55 6.48 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.187 -0.672 . . . . 74.51 109.187 -175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.2 107.21 17.93 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.003 0.921 . . . . 72.24 109.722 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.0 mt -111.91 107.34 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.439 -0.949 . . . . 65.24 108.439 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -100.69 103.65 14.92 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 108.311 -0.996 . . . . 72.33 108.311 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.5 m -113.36 152.19 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 124.857 1.263 . . . . 54.23 108.904 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -122.19 -58.03 1.74 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.501 0.667 . . . . 53.43 109.352 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -116.58 91.77 3.68 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.034 -0.984 . . . . 53.11 108.637 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 pp -120.89 111.78 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.957 0.903 . . . . 73.13 110.323 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -77.92 174.77 10.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.748 0.819 . . . . 74.04 110.031 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -34.1 9.57 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 115.289 1.589 . . . . 73.3 115.289 -169.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -88.15 -30.08 20.07 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.994 0.518 . . . . 73.15 111.899 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -84.7 -28.53 26.29 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.997 0.74 . . . . 71.15 112.997 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.653 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.5 pp -72.58 -26.09 61.58 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.759 -0.46 . . . . 62.32 109.759 176.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.7 mmmm -52.24 -36.83 53.47 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 114.782 -1.099 . . . . 74.22 111.127 168.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 25.9 mmtp -62.36 -30.95 71.55 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.798 0.439 . . . . 64.45 111.144 -175.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.4 mm? -61.54 -46.5 89.66 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.675 0.79 . . . . 53.2 110.857 -177.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.1 pp -81.89 -29.13 32.56 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.439 -0.801 . . . . 70.23 110.835 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 44.0 mt-10 -73.25 -19.01 61.16 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.884 0.473 . . . . 64.35 111.137 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 4.1 mmp_? -70.7 -37.65 73.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.865 0.466 . . . . 61.31 110.741 166.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -72.67 -38.7 59.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 122.952 0.501 . . . . 74.11 111.181 -176.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.627 ' HB3' HD11 ' A' ' 22' ' ' LEU . 7.8 ptp85 -59.1 -42.85 91.49 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.176 0.298 . . . . 75.21 110.794 -176.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 5.8 pt-20 -64.89 -33.12 75.27 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 109.449 -0.574 . . . . 75.32 109.449 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 72.2 mmtt -65.15 -53.0 51.78 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.926 -0.768 . . . . 65.1 108.926 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 pp -66.87 -25.8 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 115.488 -0.778 . . . . 74.43 111.06 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.43 -55.03 4.21 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 123.517 0.727 . . . . 52.24 112.506 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 37.2 ptt85 -83.16 -34.31 26.02 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 112.594 0.59 . . . . 75.54 112.594 -170.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -70.24 -46.01 65.32 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.72 -1.215 . . . . 74.21 107.72 165.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.5 -29.49 2.28 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-N 115.31 -0.859 . . . . 72.02 114.613 171.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.7 m -61.06 121.02 11.41 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.552 1.141 . . . . 70.43 111.172 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 p -74.96 78.48 2.17 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.564 1.145 . . . . 55.52 111.337 -176.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -162.2 94.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 104.986 -2.227 . . . . 75.53 104.986 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.492 ' HA ' HG12 ' A' ' 45' ' ' ILE . 47.3 t -125.21 132.7 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.839 0.856 . . . . 73.33 108.97 -172.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.537 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 34.4 tt0 -141.79 108.32 5.32 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.467 0.707 . . . . 72.31 109.658 174.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -100.85 129.2 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 108.638 -0.875 . . . . 71.12 108.638 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.558 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 39.8 m-20 -119.19 107.72 13.78 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.508 -0.923 . . . . 72.01 108.508 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 91' ' ' THR . 89.0 t -99.6 104.16 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 108.927 -0.768 . . . . 52.42 108.927 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.439 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 44.1 m-70 -98.84 112.54 24.6 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.018 0.927 . . . . 62.52 109.01 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.9 p -159.7 129.84 5.57 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 122.917 0.487 . . . . 74.22 110.229 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.31 30.64 77.06 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.931 0.769 . . . . 32.11 114.021 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.27 -2.36 87.87 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-O 119.879 -0.4 . . . . 60.43 113.465 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -106.2 157.66 17.41 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.693 0.797 . . . . 73.03 110.045 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 89.8 m -141.04 116.71 10.28 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 123.754 0.821 . . . . 42.54 109.622 173.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -95.66 116.65 29.16 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.173 -0.677 . . . . 74.12 109.173 174.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.6 p -99.33 104.58 16.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.426 0.69 . . . . 70.34 110.218 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -102.48 108.34 19.62 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.035 0.934 . . . . 74.55 110.181 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.3 m120 . . . . . 0 N--CA 1.472 0.634 0 C-N-CA 123.544 0.738 . . . . 65.32 109.038 173.097 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 25' ' ' LEU . 4.3 pp . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 112.309 0.485 . . . . 62.42 112.309 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.561 ' HB3' HD13 ' A' ' 66' ' ' LEU . 61.4 mt -56.21 -57.32 12.69 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 109.914 -0.402 . . . . 71.5 109.914 172.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.3 tt0 -65.34 -33.03 75.02 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.535 -1.211 . . . . 73.14 110.818 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -63.8 -37.52 87.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.637 0.775 . . . . 73.1 110.09 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 21' ' ' LEU . 9.2 mp -79.86 -30.02 40.2 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 115.847 -0.615 . . . . 53.24 110.161 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -61.8 -46.85 87.75 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.376 0.423 . . . . 60.23 109.864 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 58.5 mm-40 -62.51 -36.17 81.7 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.029 0.83 . . . . 75.31 110.483 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.08 -47.62 76.63 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.09 -0.959 . . . . 63.03 110.739 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' HB2' HD13 ' A' ' 62' ' ' LEU . 17.8 m-30 -67.04 -37.99 85.09 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.949 0.5 . . . . 74.3 110.735 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.88 -38.74 92.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.114 0.965 . . . . 64.04 110.842 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.58 -50.6 64.53 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.456 0.473 . . . . 73.23 109.736 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD13 HG12 ' A' ' 39' ' ' ILE . 64.4 mt -61.55 -30.19 70.49 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.028 0.931 . . . . 63.02 111.144 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -60.91 -17.54 51.43 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.174 1.39 . . . . 75.11 112.21 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.17 -30.86 66.74 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.378 0.671 . . . . 71.12 111.457 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -26.57 6.95 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.984 0.514 . . . . 73.04 110.856 171.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.28 50.28 3.69 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 109.505 -1.438 . . . . 64.21 109.505 -172.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.408 ' O ' HG13 ' A' ' 39' ' ' ILE . 1.5 m -55.76 157.82 3.98 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.405 1.482 . . . . 72.12 112.981 -175.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.536 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 5.0 pt-20 -58.59 86.54 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.724 0.81 . . . . 74.23 110.786 167.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.49 HG12 HD13 ' A' ' 32' ' ' LEU . 39.6 mt -94.18 110.37 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 109.072 -0.714 . . . . 62.21 109.072 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 62.1 t -114.06 104.89 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 108.951 -0.759 . . . . 74.22 108.951 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.586 HG21 ' HB3' ' A' ' 65' ' ' LEU . 57.3 t -93.15 109.79 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 N-CA-C 108.32 -0.993 . . . . 64.41 108.32 178.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -120.87 107.04 12.22 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.792 0.837 . . . . 54.14 108.839 -172.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 21.6 t -99.83 102.41 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.566 0.746 . . . . 65.05 109.733 -170.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.62 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 47.6 m-70 -91.65 97.2 10.88 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.617 0.767 . . . . 72.43 109.613 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.478 HG21 ' HG2' ' A' ' 76' ' ' GLU . 6.8 mt -117.7 113.26 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.308 0.643 . . . . 73.02 110.151 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 m120 50.16 28.49 3.1 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.409 1.484 . . . . 72.11 113.517 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.77 -34.13 4.18 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 122.365 -0.209 . . . . 52.13 112.977 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -79.79 145.93 32.56 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.765 0.426 . . . . 71.22 110.369 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -121.59 121.18 36.83 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.857 0.863 . . . . 71.21 109.04 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 22.9 t70 -104.17 111.98 24.81 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.985 -1.117 . . . . 71.14 107.985 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -104.97 116.86 32.67 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.727 0.411 . . . . 62.3 110.551 -172.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.3 mt -117.43 113.29 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 107.813 -1.18 . . . . 64.15 107.813 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HG2' HG13 ' A' ' 40' ' ' VAL . 47.5 mtm180 -112.33 112.1 23.44 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 109.48 -0.563 . . . . 74.5 109.48 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HA ' HH21 ' A' ' 55' ' ' ARG . 30.8 m -131.13 152.24 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.806 1.242 . . . . 71.52 109.087 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG3' ' HA ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -121.9 -85.33 0.66 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.132 -0.692 . . . . 72.44 109.132 171.628 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.68 90.86 8.41 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 108.712 -0.847 . . . . 73.11 108.712 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.615 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.6 pp -117.15 174.03 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 114.421 -1.263 . . . . 71.42 109.994 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.2 m -97.36 175.61 6.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.218 0.607 . . . . 73.32 111.359 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HD3' ' H ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -73.28 -35.01 66.09 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.012 0.525 . . . . 63.25 112.011 -174.15 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -81.39 -25.14 36.51 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.927 0.394 . . . . 52.1 109.996 174.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -73.69 -37.45 65.19 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.059 -0.518 . . . . 51.2 111.501 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.615 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.5 pp -72.3 -24.05 61.27 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 122.378 -0.201 . . . . 72.31 110.853 176.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -57.47 -34.88 69.48 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 116.149 -0.478 . . . . 54.01 110.544 168.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 25.3 mmmt -63.21 -33.94 76.57 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 119.159 -0.448 . . . . 75.2 110.841 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.586 ' HB3' HG21 ' A' ' 41' ' ' VAL . 85.2 mt -56.59 -47.4 79.65 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 123.815 0.697 . . . . 64.4 111.101 -175.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 22' ' ' LEU . 3.7 pp -83.15 -27.09 30.34 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.711 -1.131 . . . . 63.21 111.255 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 53.3 mt-10 -70.24 -26.4 63.82 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.212 0.205 . . . . 64.45 111.374 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 1.3 mmp_? -65.51 -42.49 92.03 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 108.814 -0.81 . . . . 64.22 108.814 172.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.29 -47.82 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.003 0.921 . . . . 64.12 111.263 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 19.6 ptt180 -59.05 -37.67 77.58 Favored 'General case' 0 C--N 1.364 1.224 0 O-C-N 123.782 0.676 . . . . 75.14 109.971 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' HB3' ' NH2' ' A' ' 75' ' ' ARG . 44.4 mt-10 -58.89 -41.93 88.33 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.386 0.674 . . . . 71.1 110.58 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 69.4 mmtt -66.44 -53.73 32.15 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.911 0.757 . . . . 65.24 109.409 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.9 pp -66.35 -31.95 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 112.035 0.383 . . . . 72.03 112.035 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -64.3 -47.92 77.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.676 0.39 . . . . 54.04 110.352 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.501 ' NH2' ' HB3' ' A' ' 71' ' ' GLU . 6.8 ptp180 -74.29 -33.9 63.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.313 0.486 . . . . 54.43 112.313 -172.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -79.98 -53.74 6.45 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.196 0.198 . . . . 70.5 110.79 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.2 35.01 68.35 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.345 0.403 . . . . 72.42 113.641 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.4 t -99.81 -163.73 1.06 Allowed 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.313 1.045 . . . . 74.44 109.578 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 m -131.45 51.75 2.12 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.148 0.579 . . . . 63.15 110.26 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -157.26 101.35 1.89 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.749 -0.834 . . . . 73.05 108.749 171.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.83 140.37 39.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 123.978 0.911 . . . . 72.35 110.167 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.62 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 11.1 tp10 -143.08 139.17 30.36 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.015 1.326 . . . . 54.43 107.868 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 63.3 t -132.43 109.73 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.436 -0.949 . . . . 54.32 108.436 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -103.24 109.0 20.44 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.148 0.579 . . . . 74.13 109.652 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -93.8 123.54 45.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 107.519 -1.289 . . . . 75.33 107.519 170.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 25.9 m-70 -114.36 112.71 23.49 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.375 -1.343 . . . . 64.2 107.375 -177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 20.3 m -149.34 123.05 9.23 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.312 0.645 . . . . 72.15 110.704 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.424 ' H ' ' HG3' ' A' ' 38' ' ' GLU . . . 72.22 21.04 79.42 Favored Glycine 0 C--N 1.348 1.25 0 O-C-N 124.058 0.849 . . . . 42.41 113.052 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.37 -20.37 46.84 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 120.04 -0.311 . . . . 75.22 113.075 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -83.38 142.06 31.3 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.096 0.558 . . . . 74.24 110.154 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.2 m -124.62 116.48 22.47 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.391 0.676 . . . . 70.22 109.617 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -90.1 117.08 28.61 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.875 0.87 . . . . 74.11 108.964 173.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.2 p -97.46 104.65 16.69 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.496 0.718 . . . . 74.23 110.505 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.513 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 87.5 m-85 -96.79 103.22 15.13 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.482 -0.932 . . . . 71.11 108.482 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.246 0.901 0 C-N-CA 124.809 1.243 . . . . 72.41 109.38 -177.383 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.04 -0.356 . . . . 52.21 110.04 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -54.04 -56.84 14.18 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.14 0.9 . . . . 71.02 109.728 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 40.1 tt0 -65.56 -32.79 74.57 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 119.323 -0.37 . . . . 74.54 111.522 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -61.01 -32.27 71.86 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.047 0.385 . . . . 71.44 110.8 176.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -83.16 -31.24 27.26 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 109.436 -0.579 . . . . 70.44 109.436 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.598 ' HB2' HD21 ' A' ' 66' ' ' LEU . 67.6 ttp85 -64.97 -41.29 95.57 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 122.717 0.407 . . . . 74.51 109.95 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.6 mm-40 -61.34 -39.09 89.28 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.902 0.751 . . . . 54.44 109.548 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 58.9 tp -62.33 -44.87 95.48 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.265 -0.879 . . . . 72.53 110.521 174.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.529 ' HB3' HD22 ' A' ' 62' ' ' LEU . 25.7 m-85 -72.36 -26.69 62.01 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.997 0.519 . . . . 72.53 111.954 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 11.7 mm-40 -78.18 -24.55 47.16 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.465 0.706 . . . . 54.3 109.252 175.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -75.75 -32.19 59.88 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.078 0.951 . . . . 55.22 109.754 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 83.8 mt -84.35 -18.07 37.38 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 114.582 -1.19 . . . . 60.31 110.948 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 30' ' ' GLU . 3.5 t-160 -54.38 -29.88 50.08 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.516 1.127 . . . . 72.34 111.821 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.64 -36.49 80.93 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.002 0.521 . . . . 51.43 111.945 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.42 -44.16 5.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.789 0.436 . . . . 62.32 110.49 -178.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.41 39.15 97.41 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.968 0.793 . . . . 61.33 113.204 -175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 t -71.96 -173.69 1.07 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.765 0.826 . . . . 70.55 110.822 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.9 pm0 -63.5 97.29 0.14 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.359 0.6 . . . . 75.22 110.286 173.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.8 mt -95.56 109.64 22.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.501 -1.296 . . . . 74.52 107.501 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.527 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 41.5 t -112.65 106.02 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 108.296 -1.001 . . . . 72.14 108.296 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.1 109.79 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.252 -1.018 . . . . 73.4 108.252 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 63.1 tt0 -116.84 105.86 12.83 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.897 0.879 . . . . 65.45 109.282 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.51 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 59.7 t -98.07 103.39 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.454 1.102 . . . . 71.34 108.858 -170.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 63.8 m170 -87.92 104.67 16.83 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.722 0.809 . . . . 74.5 109.332 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 40.3 mt -127.2 123.59 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 109.02 -0.733 . . . . 62.15 109.02 173.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 65.36 19.04 11.55 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.222 1.009 . . . . 63.13 112.874 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.96 -19.94 45.09 Favored Glycine 0 C--N 1.35 1.324 0 C-N-CA 123.061 0.362 . . . . 41.25 112.934 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 43.8 mt-10 -83.27 152.05 25.34 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.918 0.887 . . . . 71.5 110.618 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -121.68 129.62 52.89 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 124.365 1.066 . . . . 74.42 109.539 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.51 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 24.6 t70 -107.07 107.35 18.31 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.226 -1.398 . . . . 51.53 107.226 170.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -115.31 115.4 26.57 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.958 0.503 . . . . 63.31 109.951 -167.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 10.6 mt -119.3 107.56 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 108.677 -0.86 . . . . 64.34 108.677 -175.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 126.89 34.28 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.966 -1.124 . . . . 75.21 107.966 174.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.437 HG11 HD11 ' A' ' 65' ' ' LEU . 4.8 p -139.67 139.78 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 109.143 -0.688 . . . . 63.54 109.143 172.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 35.2 mtp180 -135.72 133.17 37.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.527 0.731 . . . . 74.03 109.479 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.3 m120 59.2 80.24 0.2 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.742 1.217 . . . . 74.14 111.271 170.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 pp -144.32 166.34 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.362 0.665 . . . . 72.02 112.222 -173.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.511 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 13.2 m -83.99 173.27 11.3 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.275 1.03 . . . . 60.41 110.564 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HA ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.87 -24.37 55.72 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 111.996 0.369 . . . . 72.2 111.996 -178.782 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -75.31 -18.78 59.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.506 0.322 . . . . 63.13 111.051 172.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HG3' ' HB2' ' A' ' 58' ' ' SER . 27.9 mt-10 -89.56 -42.37 11.46 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.359 0.663 . . . . 74.25 110.463 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 59' ' ' LYS . 4.3 pp -69.17 -21.02 64.01 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 122.389 -0.194 . . . . 73.31 110.746 173.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -36.57 63.22 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 124.151 0.98 . . . . 74.35 110.155 171.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 14.1 mmmm -62.94 -31.01 72.01 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.612 -0.722 . . . . 71.41 110.676 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 69' ' ' ILE . 68.2 mt -61.12 -46.1 91.97 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.665 0.386 . . . . 74.5 110.035 176.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 26' ' ' ARG . 7.5 mp -58.44 -47.51 83.72 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 124.174 0.921 . . . . 71.14 110.8 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 10.0 pt-20 -70.62 -29.64 66.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.771 -0.649 . . . . 62.02 111.115 -175.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 12.9 mmp_? -64.4 -36.87 85.54 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.665 0.211 . . . . 73.44 110.57 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 65' ' ' LEU . 67.1 mt -66.79 -48.13 80.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 124.172 0.92 . . . . 64.24 109.942 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 6.9 ptm180 -60.53 -36.38 78.27 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 123.224 0.328 . . . . 72.04 110.571 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 30.4 mm-40 -59.41 -37.83 79.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.341 0.256 . . . . 74.3 110.75 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -75.11 -50.3 16.81 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.766 0.426 . . . . 74.11 110.541 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.4 pp -65.22 -29.21 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 116.242 -0.435 . . . . 72.3 111.27 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -76.48 -52.09 10.49 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.526 0.731 . . . . 73.12 110.814 176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -61.27 -44.81 96.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.965 0.906 . . . . 74.35 111.212 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.6 -41.05 69.41 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.648 0.779 . . . . 60.44 110.284 174.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.21 44.23 97.99 Favored Glycine 0 C--N 1.35 1.35 0 N-CA-C 111.456 -0.658 . . . . 60.01 111.456 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 t -123.32 150.49 43.54 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.762 0.825 . . . . 75.3 110.942 -168.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 m -97.85 2.98 49.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.03 0.932 . . . . 54.02 111.039 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 7.1 tp10 -84.61 41.42 0.85 Allowed 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.401 1.08 . . . . 62.54 110.037 -177.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.5 t -99.92 129.51 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.061 0.944 . . . . 70.34 110.406 -170.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 36.2 tt0 -139.04 106.55 5.57 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.303 -0.999 . . . . 74.41 108.303 174.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.67 113.64 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 108.398 -0.964 . . . . 74.15 108.398 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -101.27 106.39 17.58 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.028 -1.101 . . . . 70.01 108.028 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.12 109.16 21.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.849 -1.167 . . . . 70.23 107.849 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.527 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 88.1 m-70 -99.5 113.1 25.28 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.818 -1.179 . . . . 75.25 107.818 -178.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.1 t -153.38 110.5 3.46 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.254 0.479 . . . . 64.34 110.247 -173.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.65 28.44 73.54 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 123.769 0.668 . . . . 43.13 112.936 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.1 -2.45 86.93 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-O 120.175 -0.236 . . . . 32.31 113.673 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -94.58 124.08 38.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.819 0.848 . . . . 74.31 109.339 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.1 m -115.87 112.47 21.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 61.02 110.133 -177.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -101.39 121.99 42.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.774 0.829 . . . . 72.4 109.249 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.5 p -104.01 115.82 31.12 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.97 0.908 . . . . 65.21 110.396 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -104.45 112.07 24.98 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.944 0.898 . . . . 75.53 110.168 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 N--CA 1.48 1.037 0 C-N-CA 124.164 0.986 . . . . 71.34 110.811 178.696 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 109.117 -0.697 . . . . 73.32 109.117 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.3 mt -56.21 -39.29 72.25 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.326 -1.306 . . . . 65.15 111.567 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 8.9 tp10 -55.07 -42.02 72.23 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.321 1.013 . . . . 74.01 110.991 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -61.72 -34.36 75.66 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.332 -0.849 . . . . 71.05 110.944 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.51 -32.28 24.02 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.406 -0.816 . . . . 72.34 110.162 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -67.92 -37.96 82.32 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.147 0.579 . . . . 73.35 110.692 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 87.3 mm-40 -62.77 -40.02 95.98 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.303 -0.862 . . . . 73.12 110.342 175.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.81 -41.82 95.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.361 -0.836 . . . . 73.14 111.164 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.455 ' HB2' HD13 ' A' ' 62' ' ' LEU . 22.6 m-30 -65.23 -33.38 75.87 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.903 -0.589 . . . . 75.14 110.611 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.16 -37.72 84.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.76 0.824 . . . . 41.13 111.593 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 48.3 mt-10 -61.63 -37.24 83.24 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.497 0.719 . . . . 64.24 110.88 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 mt -81.53 -28.43 33.97 Favored 'General case' 0 CA--C 1.561 1.399 0 CA-C-O 121.552 0.691 . . . . 73.12 110.927 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -62.14 -35.26 78.24 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.44 1.096 . . . . 74.04 111.409 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.3 pt-20 -61.79 -28.9 69.79 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 123.399 0.437 . . . . 72.31 111.777 -177.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -108.81 -13.87 14.69 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.034 -0.53 . . . . 73.24 110.781 -170.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.92 44.47 68.13 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.813 0.696 . . . . 43.43 112.275 171.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.0 t -101.26 171.23 7.72 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 109.302 -0.629 . . . . 55.13 109.302 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -80.11 142.16 35.09 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.812 0.339 . . . . 71.24 111.012 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 57' ' ' ILE . 33.9 mt -117.1 112.56 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.499 -0.926 . . . . 60.42 108.499 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 73.3 t -101.49 101.67 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 108.818 -0.808 . . . . 45.5 108.818 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.88 111.32 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.1 -0.704 . . . . 60.24 109.1 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 43.7 tt0 -109.07 106.71 16.75 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.031 0.933 . . . . 65.25 109.284 -175.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 58.3 t -89.18 104.48 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 124.422 1.089 . . . . 71.45 109.508 -177.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 53.0 m170 -90.77 113.76 25.97 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.698 0.799 . . . . 71.22 108.868 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.43 HG21 ' HG3' ' A' ' 76' ' ' GLU . 23.8 mt -133.21 110.3 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 109.351 -0.611 . . . . 61.44 109.351 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 62.93 25.8 15.23 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.139 0.976 . . . . 64.13 112.297 170.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.9 -17.8 35.03 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 116.185 -0.461 . . . . 71.24 113.189 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 38.2 mt-10 -81.68 145.21 30.66 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.29 0.636 . . . . 70.14 110.449 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -123.39 128.82 50.4 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.361 1.064 . . . . 70.54 108.983 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.43 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 31.6 t70 -127.96 112.33 14.54 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.494 0.718 . . . . 74.14 109.354 178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -102.63 120.11 39.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.149 0.58 . . . . 75.05 109.856 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.7 mt -117.76 104.92 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.343 -0.984 . . . . 73.24 108.343 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HG2' HG22 ' A' ' 40' ' ' VAL . 75.7 mtp180 -94.27 115.1 27.3 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.575 -0.898 . . . . 75.04 108.575 176.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.58 ' HB ' HG21 ' A' ' 57' ' ' ILE . 6.8 m -112.05 105.37 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 108.349 -0.982 . . . . 65.22 108.349 170.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -95.82 107.59 19.85 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.347 -0.612 . . . . 75.14 109.347 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 66.7 88.52 0.11 Allowed 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.404 1.065 . . . . 71.1 109.597 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.62 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.0 pp -126.93 157.48 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 115.441 -0.799 . . . . 73.31 111.108 -175.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -101.26 -177.45 3.45 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.64 0.776 . . . . 62.4 112.026 -172.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -56.76 -42.49 79.47 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.006 1.323 . . . . 72.22 113.429 -170.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -31.34 18.74 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.526 0.731 . . . . 72.14 110.938 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.65 -37.73 87.36 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.869 -0.605 . . . . 40.1 111.567 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.62 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.3 pp -66.35 -24.15 66.46 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.853 0.461 . . . . 75.43 111.645 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HA ' HD21 ' A' ' 66' ' ' LEU . 96.3 mttt -63.38 -25.86 68.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.428 0.691 . . . . 73.3 111.333 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 11.3 mmpt? -68.36 -22.68 64.65 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.738 -0.665 . . . . 74.11 112.115 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -70.77 -53.29 16.03 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.899 0.48 . . . . 71.33 111.073 -177.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -63.56 -30.49 71.6 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.441 0.463 . . . . 75.44 110.961 173.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -64.89 -38.44 90.99 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 123.101 0.56 . . . . 54.45 111.111 172.822 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 3.3 mmp_? -71.44 -22.62 61.81 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.772 0.429 . . . . 75.13 111.791 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 66' ' ' LEU . 63.6 mt -82.07 -47.57 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.813 0.845 . . . . 75.42 110.147 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 6.5 ppt_? -60.72 -36.32 78.54 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.135 -0.939 . . . . 61.43 111.164 -173.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -30.75 69.48 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 109.112 -0.699 . . . . 72.3 109.112 -176.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 33.6 mmtp -66.03 -57.49 7.63 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 108.423 -0.954 . . . . 72.24 108.423 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.499 HG22 HG21 ' A' ' 81' ' ' VAL . 2.4 pp -63.75 -26.59 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 O-C-N 123.461 0.476 . . . . 74.24 112.156 -172.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -78.84 -38.69 37.39 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.244 0.618 . . . . 72.43 112.219 175.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -75.27 -44.25 46.89 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 122.961 0.504 . . . . 70.03 111.878 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 45' ' ' ILE . 24.3 mm-40 -72.05 -45.36 61.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.115 0.566 . . . . 71.33 109.656 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.73 -5.14 32.35 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.136 -0.938 . . . . 13.32 113.508 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.9 p -79.66 143.44 34.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.971 0.908 . . . . 75.12 109.992 -172.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.6 t -76.4 -30.33 57.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.05 0.94 . . . . 74.04 111.097 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.5 84.98 1.13 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.621 0.769 . . . . 41.53 110.735 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.499 HG21 HG22 ' A' ' 73' ' ' ILE . 56.9 t -135.51 133.18 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.27 1.028 . . . . 74.23 109.811 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -142.59 117.41 9.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.798 1.239 . . . . 72.2 108.992 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.2 t -99.45 117.61 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.424 0.69 . . . . 62.54 109.3 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -101.93 108.07 19.41 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.149 -1.056 . . . . 73.32 108.149 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.8 t -92.58 108.56 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 107.172 -1.418 . . . . 74.15 107.172 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.618 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 62.0 m-70 -99.76 128.91 45.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.096 0.958 . . . . 75.42 108.61 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 t -157.64 112.32 2.67 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.109 -0.7 . . . . 71.34 109.109 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.47 26.45 71.8 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 123.689 0.618 . . . . 14.4 113.124 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.24 -18.31 49.27 Favored Glycine 0 C--N 1.349 1.255 0 C-N-CA 123.056 0.36 . . . . 74.45 113.341 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 95.3 mt-30 -79.25 142.81 35.87 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.87 0.868 . . . . 74.21 109.754 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.8 m -131.73 124.7 30.28 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 122.85 0.46 . . . . 73.02 109.867 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 -106.15 113.52 27.1 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.828 -1.175 . . . . 75.33 107.828 172.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.7 p -96.2 102.69 14.52 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.268 0.627 . . . . 64.4 109.933 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -91.12 105.67 17.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.638 -1.245 . . . . 74.34 107.638 174.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.241 0.646 0 N-CA-C 109.217 -0.66 . . . . 72.25 109.217 -177.074 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 120.338 0.114 . . . . 72.41 110.808 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.489 ' HB3' HD23 ' A' ' 66' ' ' LEU . 67.5 mt -56.7 -57.78 10.92 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 124.018 0.927 . . . . 55.03 111.395 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 38.6 tt0 -66.62 -21.3 66.12 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.208 -0.451 . . . . 73.43 111.782 -174.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -65.17 -37.44 87.38 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.982 0.513 . . . . 72.22 109.954 174.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.28 -34.83 63.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.87 -0.605 . . . . 74.42 110.409 172.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.551 HH11 ' HG3' ' A' ' 30' ' ' GLU . 6.9 tmm_? -61.1 -36.67 80.31 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.118 0.567 . . . . 42.3 110.167 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 12.0 mm100 -60.12 -45.65 92.28 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.321 0.581 . . . . 73.34 110.354 175.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.0 -37.73 88.63 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.665 -1.152 . . . . 75.35 110.94 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.45 ' HB3' HD22 ' A' ' 62' ' ' LEU . 21.7 m-30 -75.2 -28.18 59.88 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.316 0.647 . . . . 73.22 110.804 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.551 ' HG3' HH11 ' A' ' 26' ' ' ARG . 37.5 mm-40 -69.73 -32.27 70.73 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.167 0.587 . . . . 65.24 110.666 171.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 40.4 tt0 -73.28 -34.81 65.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.625 0.77 . . . . 63.54 110.963 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 93.5 mt -79.21 -19.88 49.69 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 122.746 0.418 . . . . 71.03 110.418 175.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -66.74 -23.33 66.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.078 0.551 . . . . 74.04 111.072 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 1.9 pp20? -69.07 -24.22 64.13 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-O 119.778 -0.153 . . . . 73.51 111.054 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.513 ' HD2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -114.82 -9.48 12.5 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 117.592 0.178 . . . . 70.13 110.84 174.857 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.92 27.83 67.58 Favored Glycine 0 C--N 1.351 1.367 0 C-N-CA 123.858 0.742 . . . . 74.32 114.858 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.413 ' HB ' ' HG2' ' A' ' 35' ' ' ARG . 7.4 t -73.72 179.9 3.95 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.422 0.689 . . . . 32.13 111.781 -171.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 9.8 pt-20 -71.92 113.17 8.67 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.01 -0.996 . . . . 63.34 110.828 174.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.486 HD12 HD11 ' A' ' 57' ' ' ILE . 61.3 mt -97.24 119.24 45.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.575 -0.898 . . . . 73.05 108.575 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 18.2 t -108.03 103.01 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.572 -0.899 . . . . 60.23 108.572 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.461 HG21 ' HB3' ' A' ' 65' ' ' LEU . 45.2 t -94.81 138.44 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 108.114 -1.069 . . . . 73.32 108.114 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 38.7 tt0 -138.3 108.29 6.36 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.978 0.354 . . . . 72.33 110.649 -173.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 41.7 t -88.88 119.4 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.579 0.752 . . . . 71.52 109.963 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -104.99 111.43 24.21 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.856 0.863 . . . . 75.52 109.924 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.1 mt -137.16 114.17 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 109.498 -0.556 . . . . 74.34 109.498 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.36 16.01 5.92 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.111 1.364 . . . . 65.5 113.683 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.94 -15.83 13.57 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 119.829 -0.429 . . . . 74.14 113.198 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.93 117.02 21.2 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.209 0.604 . . . . 74.04 110.344 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -96.19 122.61 39.23 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 108.579 -0.897 . . . . 74.51 108.579 170.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.552 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 36.0 t70 -110.8 109.27 19.4 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.353 -0.98 . . . . 75.41 108.353 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -92.72 131.94 37.36 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.389 -0.596 . . . . 53.12 109.389 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 mt -131.39 105.0 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 106.636 -1.616 . . . . 74.33 106.636 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.568 ' HG2' HG22 ' A' ' 40' ' ' VAL . 68.2 mtm180 -103.54 127.53 50.93 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.828 -0.805 . . . . 71.24 108.828 178.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -139.45 145.98 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 123.074 0.55 . . . . 44.25 109.635 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG2' ' HB3' ' A' ' 38' ' ' GLU . 68.5 mtp85 -128.14 142.94 51.04 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.215 0.606 . . . . 72.35 110.096 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 m120 51.89 77.26 0.15 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 124.9 1.375 . . . . 62.14 111.824 169.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.558 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.8 pp -140.48 145.59 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.475 0.71 . . . . 74.43 111.056 -173.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -93.79 -175.63 3.8 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.932 0.893 . . . . 55.1 111.442 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 60.0 pttt -52.33 -48.65 65.34 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.259 1.024 . . . . 71.51 112.369 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.54 -25.11 62.09 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.391 0.676 . . . . 64.22 111.427 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -83.54 -41.34 18.05 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.525 0.73 . . . . 73.14 111.119 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.558 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.6 pp -69.83 -20.47 63.43 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.404 -0.362 . . . . 62.44 110.786 176.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 11.2 mmmm -55.3 -29.81 58.97 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.325 0.65 . . . . 75.31 112.14 170.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -64.53 -32.82 74.63 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 123.363 0.414 . . . . 51.15 111.288 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.461 ' HB3' HG21 ' A' ' 41' ' ' VAL . 62.9 mt -63.62 -37.56 87.8 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.545 0.738 . . . . 74.11 110.03 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 26' ' ' ARG . 6.3 mp -65.71 -46.74 77.83 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 114.773 -1.103 . . . . 73.44 109.834 176.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 43.8 mt-10 -70.88 -23.11 62.24 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.463 -0.79 . . . . 60.12 112.005 -177.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -63.86 -41.57 97.76 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.42 0.688 . . . . 53.21 110.898 173.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.7 mt -65.5 -42.39 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 115.112 -0.949 . . . . 71.51 109.546 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 2.3 ptp180 -61.01 -38.8 87.35 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 123.781 0.675 . . . . 62.25 110.474 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 44.1 mt-10 -59.03 -35.5 73.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.409 0.684 . . . . 62.34 110.776 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HA ' ' HG2' ' A' ' 75' ' ' ARG . 17.8 mmtp -83.91 -44.45 14.24 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 116.032 -0.531 . . . . 74.14 110.926 -172.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.8 pt -70.33 -27.17 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 116.774 -0.194 . . . . 60.33 110.893 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.29 -30.14 19.86 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.224 0.61 . . . . 74.22 112.156 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 72' ' ' LYS . 3.1 ptm180 -68.36 -35.49 77.81 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 118.871 0.76 . . . . 73.23 109.738 174.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 78' ' ' SER . 10.0 tp10 -86.95 -75.94 0.38 Allowed 'General case' 0 C--N 1.349 0.548 0 N-CA-C 109.485 -0.561 . . . . 73.4 109.485 177.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.94 -20.55 31.11 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-O 119.61 -0.55 . . . . 53.32 112.413 -175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.472 ' H ' ' HG3' ' A' ' 76' ' ' GLU . 58.4 m -62.11 143.67 56.36 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.554 0.742 . . . . 41.52 111.436 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.2 m -76.79 -5.88 50.0 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.029 0.931 . . . . 73.04 111.213 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -78.51 77.17 5.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.966 1.306 . . . . 74.01 109.497 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.01 133.76 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 115.255 -0.884 . . . . 75.23 110.597 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -128.7 124.12 34.85 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.729 1.612 . . . . 71.42 107.781 172.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.96 120.48 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 108.85 -0.796 . . . . 45.15 108.85 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 2.2 m120 -103.02 146.66 28.02 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.076 -0.712 . . . . 74.02 109.076 177.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.44 142.49 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 106.963 -1.495 . . . . 61.21 106.963 169.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.604 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 22.3 m-70 -136.02 131.05 34.46 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 107.95 -1.13 . . . . 74.41 107.95 -177.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 p -159.21 136.28 9.66 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.595 -0.52 . . . . 44.53 109.595 171.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.74 -88.38 0.29 Allowed Glycine 0 C--N 1.351 1.383 0 O-C-N 123.714 0.634 . . . . 53.54 112.272 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.79 9.27 1.18 Allowed Glycine 0 N--CA 1.47 0.965 0 N-CA-C 111.72 -0.552 . . . . 71.03 111.72 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -98.96 146.35 26.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.147 0.979 . . . . 74.4 109.38 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.5 m -138.18 122.5 18.23 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.635 0.774 . . . . 72.42 110.109 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -103.36 145.54 29.83 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.597 1.159 . . . . 72.5 108.884 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.3 p -133.0 139.69 47.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.23 0.612 . . . . 72.31 109.875 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -121.99 104.64 9.66 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.098 -1.445 . . . . 74.34 107.098 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 123.0 0.52 . . . . 75.43 110.166 -177.938 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 119.691 -0.195 . . . . 71.22 110.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 70' ' ' ARG . 93.6 mt -49.52 -42.44 43.73 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.059 0.943 . . . . 71.52 111.051 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 11.2 tp10 -56.47 -44.25 80.41 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.143 0.902 . . . . 71.51 111.001 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -67.17 -33.68 75.92 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 114.922 -1.035 . . . . 71.43 111.302 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.03 -30.52 55.76 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.618 -0.512 . . . . 61.01 109.618 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.577 ' HB2' HD11 ' A' ' 66' ' ' LEU . 31.5 ttt180 -58.12 -53.61 56.26 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.246 1.018 . . . . 71.13 109.506 174.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 74.8 mm-40 -52.97 -43.73 66.62 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.777 1.298 . . . . 73.14 110.914 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -61.56 -49.29 77.26 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.511 -1.222 . . . . 64.2 111.04 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.27 -39.31 94.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.171 0.588 . . . . 71.13 111.797 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.84 -32.73 72.62 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.431 0.693 . . . . 51.2 111.141 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.81 -45.6 60.98 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.972 0.509 . . . . 71.21 110.782 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.5 mt -71.14 -20.33 62.32 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.631 0.772 . . . . 62.31 111.163 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -60.55 -19.71 58.12 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.499 1.12 . . . . 71.44 112.503 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.79 -32.4 72.68 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.261 0.624 . . . . 64.3 111.774 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -23.61 10.63 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.754 0.422 . . . . 73.04 110.359 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.66 41.12 99.86 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 123.721 0.638 . . . . 32.03 112.621 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 p -69.54 165.63 20.62 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.232 0.613 . . . . 75.44 110.989 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.11 98.21 0.29 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.938 -1.028 . . . . 73.33 110.331 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 63.7 mt -91.13 106.17 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.167 -1.42 . . . . 73.52 107.167 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 50.0 t -103.03 102.45 13.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 114.491 -1.231 . . . . 41.12 108.121 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 69' ' ' ILE . 56.5 t -94.68 109.83 22.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 107.66 -1.237 . . . . 73.23 107.66 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -110.41 106.9 16.41 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.381 -0.97 . . . . 74.31 108.381 -173.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.604 HG11 ' HG3' ' A' ' 72' ' ' LYS . 90.1 t -102.27 117.91 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.517 1.127 . . . . 62.21 109.535 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 26.9 m-70 -118.13 116.23 26.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.454 0.702 . . . . 75.04 109.21 176.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.6 mt -126.98 122.55 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.257 0.623 . . . . 74.21 110.027 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 m120 63.95 -74.52 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.759 1.623 . . . . 64.31 110.679 -171.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.71 -3.9 0.18 Allowed Glycine 0 N--CA 1.473 1.136 0 CA-C-N 115.763 -0.653 . . . . 52.22 112.772 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -89.24 143.01 27.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.834 0.854 . . . . 72.51 109.512 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -116.62 153.44 32.27 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.859 0.863 . . . . 71.12 109.818 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -149.17 115.09 5.7 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.961 -0.563 . . . . 75.44 109.627 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -99.25 125.88 44.95 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.786 0.835 . . . . 74.33 109.284 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 mt -126.39 107.23 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 107.435 -1.321 . . . . 73.1 107.435 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.5 mtm105 -112.76 106.84 15.29 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.312 0.645 . . . . 74.51 110.176 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.476 HG11 HD21 ' A' ' 65' ' ' LEU . 30.9 m -118.72 144.51 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.748 1.219 . . . . 64.22 108.628 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -115.76 -92.15 0.52 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.161 0.437 . . . . 71.41 110.108 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -97.2 46.36 1.04 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.668 0.787 . . . . 72.51 109.469 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -59.44 165.24 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 115.149 -0.932 . . . . 74.31 111.52 172.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -78.75 164.54 24.47 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 120.972 0.415 . . . . 63.21 110.718 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.05 62.29 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.276 0.63 . . . . 71.32 111.992 -174.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -88.65 -25.61 22.31 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.626 0.77 . . . . 70.31 110.665 170.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.49 -28.7 66.29 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.067 0.547 . . . . 54.24 111.097 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.67 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.6 pp -69.0 -20.15 64.15 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 112.029 0.381 . . . . 74.43 112.029 176.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -66.48 -24.43 66.42 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.849 0.46 . . . . 71.0 110.568 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 13.5 mmmm -67.38 -24.89 65.74 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 123.715 0.806 . . . . 71.15 110.882 175.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.67 -46.17 73.12 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.2 -0.667 . . . . 71.25 109.2 174.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 26' ' ' ARG . 45.2 mt -61.44 -37.85 85.05 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.215 -0.902 . . . . 52.11 110.035 176.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.57 -38.25 90.34 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.916 1.286 . . . . 53.12 111.423 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 4.7 mmp_? -69.87 -49.1 55.63 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 116.303 -0.408 . . . . 73.21 110.093 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.507 HD11 HG11 ' A' ' 41' ' ' VAL . 79.8 mt -61.55 -43.62 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.477 0.711 . . . . 75.55 110.75 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HB3' HD11 ' A' ' 22' ' ' LEU . 13.4 ptm180 -64.63 -39.52 93.85 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 116.19 -0.459 . . . . 75.21 111.278 -176.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 2.3 pp20? -70.54 -21.25 62.74 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-O 119.344 -0.36 . . . . 74.14 110.547 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.604 ' HG3' HG11 ' A' ' 43' ' ' VAL . 70.3 mmtt -68.69 -58.49 4.16 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 107.611 -1.255 . . . . 74.24 107.611 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.15 -23.72 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 115.039 -0.982 . . . . 71.24 112.222 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -80.25 -49.75 11.16 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.856 0.862 . . . . 71.43 111.477 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 24.4 ptt180 -63.85 -37.79 88.69 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 120.992 0.425 . . . . 71.11 110.099 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -76.52 -48.55 19.07 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.841 0.857 . . . . 73.35 109.733 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.73 27.28 70.83 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.406 -0.816 . . . . 75.21 112.21 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.3 m -105.53 131.41 52.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.088 0.955 . . . . 74.12 110.039 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 m -77.75 -9.23 58.9 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.183 0.993 . . . . 65.5 111.031 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -79.94 79.92 6.41 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.514 -0.921 . . . . 74.2 108.514 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.7 141.51 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-O 121.454 0.645 . . . . 61.21 111.092 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 10.0 tp10 -135.41 137.6 42.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.382 1.473 . . . . 44.22 108.33 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 89.5 t -138.61 108.93 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 108.071 -1.085 . . . . 54.11 108.071 173.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -104.1 108.52 19.91 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.735 -0.839 . . . . 75.34 108.735 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 91' ' ' THR . 96.9 t -94.0 111.09 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.583 -0.895 . . . . 61.32 108.583 176.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 14.8 m-70 -100.39 144.7 29.08 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.208 1.003 . . . . 55.33 108.778 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.7 p -161.44 105.46 1.28 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.935 0.494 . . . . 73.25 110.463 172.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.54 16.04 58.11 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 116.005 1.162 . . . . 60.05 116.005 167.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.28 -12.61 6.03 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 117.42 0.61 . . . . 63.02 113.758 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -110.51 147.45 34.12 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 117.749 0.774 . . . . 63.32 111.252 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 96.7 m -139.44 129.61 25.24 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.65 0.78 . . . . 45.51 110.726 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.1 m-90 -110.73 127.29 55.27 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.086 0.954 . . . . 64.31 109.592 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 m -95.62 119.83 34.81 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.043 0.937 . . . . 63.13 109.295 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.563 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 79.0 m-85 -118.56 117.75 29.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.632 0.773 . . . . 74.43 109.193 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 . . . . . 0 N--CA 1.472 0.645 0 C-N-CA 124.074 0.95 . . . . 75.14 109.611 -175.579 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' HD13 ' A' ' 25' ' ' LEU . 58.8 tp . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.7 -0.482 . . . . 73.22 109.7 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' A' ' 70' ' ' ARG . 75.3 mt -65.25 -33.93 77.16 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.492 -0.776 . . . . 65.4 111.484 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 35.4 tt0 -57.63 -44.04 85.26 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.486 0.714 . . . . 75.41 110.331 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -60.24 -33.93 72.98 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 124.132 0.895 . . . . 72.51 110.816 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 21' ' ' LEU . 9.1 mp -80.83 -32.72 35.03 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.538 -0.755 . . . . 74.4 110.001 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -65.38 -47.33 76.73 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 123.572 0.749 . . . . 63.14 109.529 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 13.1 mm100 -54.62 -40.8 69.29 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.639 1.212 . . . . 71.01 110.351 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.7 tp -71.01 -42.01 70.13 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 115.202 -0.908 . . . . 74.33 111.272 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.531 ' HB2' HD13 ' A' ' 62' ' ' LEU . 22.3 m-85 -66.77 -35.64 80.56 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.717 0.407 . . . . 71.01 110.227 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.6 -40.17 92.39 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.918 0.887 . . . . 70.12 110.092 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 11.1 tp10 -60.99 -45.36 95.11 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.977 0.911 . . . . 74.53 110.385 177.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 35' ' ' ARG . 65.1 mt -80.0 -23.71 41.36 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.137 0.575 . . . . 62.51 111.455 -176.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -57.31 -40.49 77.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.393 1.077 . . . . 61.34 111.656 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 9.5 pt-20 -65.98 -23.21 66.54 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.543 0.572 . . . . 74.25 112.543 -175.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -101.07 -17.48 16.68 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 122.12 -0.363 . . . . 61.31 110.775 175.761 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.51 30.94 72.99 Favored Glycine 0 C--N 1.352 1.442 0 O-C-N 123.863 0.727 . . . . 12.25 114.253 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 t -80.83 149.86 29.38 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.352 0.661 . . . . 65.13 109.609 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 7.4 pt-20 -68.61 117.05 9.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.648 0.737 . . . . 73.41 111.685 -174.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.561 HD12 HD11 ' A' ' 57' ' ' ILE . 62.1 mt -97.53 130.44 46.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.413 1.485 . . . . 63.02 109.86 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 38.8 t -105.52 109.95 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.606 -0.886 . . . . 74.43 108.606 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.3 t -92.48 110.56 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.824 -1.176 . . . . 42.24 107.824 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -118.44 104.87 11.11 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.586 -0.524 . . . . 71.04 109.586 -172.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 27.6 t -95.15 103.18 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.194 0.998 . . . . 43.2 109.431 -175.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -99.18 111.52 23.89 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.762 1.225 . . . . 72.52 109.758 176.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.469 HG21 ' HG3' ' A' ' 76' ' ' GLU . 49.1 mt -132.09 121.25 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 109.307 -0.627 . . . . 64.24 109.307 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 m120 58.21 37.01 26.18 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.808 1.243 . . . . 72.42 112.9 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.96 -7.86 79.93 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 116.14 -0.482 . . . . 70.1 113.754 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -90.5 147.82 23.14 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.386 0.675 . . . . 61.42 110.528 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -107.2 144.67 33.63 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.045 1.338 . . . . 63.11 110.093 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.527 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 33.9 t70 -138.68 110.88 7.36 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.569 -0.9 . . . . 55.3 108.569 171.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -102.44 122.64 44.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.257 0.623 . . . . 54.42 109.857 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.81 107.52 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 107.84 -1.17 . . . . 63.54 107.84 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' HG2' HG13 ' A' ' 40' ' ' VAL . 27.8 mtp-105 -102.26 142.25 33.78 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.696 -0.483 . . . . 50.51 109.696 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.35 151.75 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.095 1.358 . . . . 54.34 108.442 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 42.8 mtp180 -105.95 -67.57 0.92 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.545 0.338 . . . . 65.11 110.382 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -117.24 103.59 10.32 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.792 0.837 . . . . 74.54 109.453 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 39' ' ' ILE . 1.1 pp -117.29 119.0 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.979 0.912 . . . . 71.33 110.162 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m -65.6 177.57 1.18 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.958 0.903 . . . . 61.24 112.372 -174.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -37.18 78.79 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.514 0.725 . . . . 72.51 112.909 -168.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.611 ' HA ' ' HE2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -89.92 -31.88 17.09 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.952 0.501 . . . . 73.23 110.691 175.348 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HG3' HG22 ' A' ' 57' ' ' ILE . 17.0 tp10 -68.03 -28.53 67.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.732 0.813 . . . . 62.45 111.641 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.4 pp -70.73 -27.22 63.8 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.91 0.484 . . . . 75.03 110.558 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.611 ' HE2' ' HA ' ' A' ' 60' ' ' GLU . 45.3 mtmt -69.49 -20.54 63.73 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 115.416 -0.811 . . . . 72.04 110.525 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 31.4 mmmt -70.48 -21.64 62.75 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.083 0.553 . . . . 74.23 110.412 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.1 mm? -69.83 -54.13 14.99 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.093 0.557 . . . . 73.35 110.416 176.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' A' ' 69' ' ' ILE . 3.7 pp -69.37 -19.7 63.83 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.704 -0.68 . . . . 72.33 111.384 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 25.9 tt0 -69.49 -44.17 71.64 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.454 0.702 . . . . 71.31 110.013 171.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 6.2 mmp_? -59.65 -37.22 78.14 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.497 0.319 . . . . 71.55 110.899 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 66' ' ' LEU . 78.5 mt -64.34 -46.8 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.121 0.969 . . . . 54.32 110.697 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.644 ' HB3' HD11 ' A' ' 22' ' ' LEU . 29.2 ptt180 -63.17 -33.18 74.91 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 123.618 0.574 . . . . 75.21 110.298 -177.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 32.6 mm-40 -59.16 -40.72 86.46 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 123.863 0.727 . . . . 74.1 110.046 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 22.8 mmtp -74.04 -49.19 25.3 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 123.827 0.704 . . . . 63.13 109.592 -174.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.2 pp -64.39 -32.55 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.465 0.478 . . . . 74.12 111.331 -173.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -78.29 -38.68 41.94 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.629 0.772 . . . . 74.52 110.935 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -63.37 -42.07 98.84 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.568 0.747 . . . . 72.24 111.11 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 27.5 mm-40 -69.85 -45.3 68.05 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.564 -0.743 . . . . 74.21 109.961 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.92 -24.74 6.47 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 115.623 -0.717 . . . . 73.45 112.664 -175.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 m -73.48 135.25 44.06 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.286 1.035 . . . . 61.22 110.893 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m -74.43 -20.08 60.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.109 0.964 . . . . 71.13 111.763 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -72.99 84.71 1.27 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.615 0.766 . . . . 72.12 109.794 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.5 m -127.91 145.0 35.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 123.916 0.886 . . . . 72.45 109.884 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HG3' ' HB3' ' A' ' 95' ' ' ASN . 32.2 tt0 -142.97 108.01 4.94 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.886 0.874 . . . . 63.21 109.846 -177.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.39 114.3 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.18 0.592 . . . . 63.12 109.461 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -102.37 106.66 17.47 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 107.193 -1.41 . . . . 74.34 107.193 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.37 107.81 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 108.893 -0.78 . . . . 74.43 108.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.5 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 46.4 m-70 -96.52 144.92 26.16 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.524 -1.287 . . . . 74.1 107.524 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -161.06 108.95 1.52 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.672 -0.862 . . . . 72.53 108.672 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.6 -94.31 0.34 Allowed Glycine 0 C--N 1.351 1.407 0 N-CA-C 111.675 -0.57 . . . . 62.25 111.675 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.12 3.1 4.81 Favored Glycine 0 N--CA 1.474 1.183 0 C-N-CA 123.496 0.569 . . . . 64.55 112.133 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -94.08 145.89 24.35 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.854 0.861 . . . . 73.3 110.331 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.2 m -141.59 129.45 21.8 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.118 0.567 . . . . 75.55 110.449 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 22.4 m-90 -111.82 115.64 29.37 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.435 1.094 . . . . 75.31 108.494 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.1 p -97.91 102.28 13.99 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.889 0.476 . . . . 62.42 109.722 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.99 107.06 18.94 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.002 -1.11 . . . . 74.25 108.002 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.499 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . 3.8 p30 . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.017 -0.734 . . . . 75.13 109.017 -177.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 109.233 -0.654 . . . . 50.25 109.233 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 70' ' ' ARG . 87.4 mt -61.34 -33.37 73.51 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.568 0.747 . . . . 70.42 111.919 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 36.1 tp10 -49.94 -45.44 51.22 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 124.796 1.31 . . . . 74.54 110.799 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HB2' HD12 ' A' ' 25' ' ' LEU . 8.6 mmm180 -57.93 -37.28 73.81 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.643 1.215 . . . . 75.52 111.652 -177.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 24' ' ' ARG . 6.2 mp -85.41 -36.29 20.76 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.558 -0.746 . . . . 74.12 109.701 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HB2' HD13 ' A' ' 66' ' ' LEU . 8.4 tmm_? -68.41 -37.97 80.82 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.707 0.803 . . . . 60.33 110.393 -175.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 88.7 mm-40 -61.94 -36.47 81.48 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.875 0.734 . . . . 75.32 110.656 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.5 -42.34 74.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.266 0.626 . . . . 70.1 110.626 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -63.6 -39.06 93.41 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.78 0.432 . . . . 73.24 111.171 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.34 -38.51 87.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.482 0.713 . . . . 75.2 110.51 174.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -67.04 -33.71 76.12 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.158 -0.928 . . . . 70.2 110.798 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 86.4 mt -87.99 -17.88 30.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.539 0.736 . . . . 72.41 110.758 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -58.79 -35.01 72.14 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.053 0.941 . . . . 73.23 112.213 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.93 -24.4 62.44 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.415 0.524 . . . . 62.41 112.415 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 ptm180 -97.79 -27.51 14.28 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.215 0.206 . . . . 72.42 110.913 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.11 83.07 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 113.936 0.334 . . . . 52.43 113.936 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -77.12 169.81 17.66 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.004 0.922 . . . . 74.21 110.488 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 5.9 pt-20 -71.59 100.92 2.38 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.059 0.933 . . . . 75.41 110.252 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 39.5 mt -93.69 106.87 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 107.895 -1.15 . . . . 64.21 107.895 176.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 53' ' ' ARG . 47.9 t -102.3 103.54 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.062 -1.088 . . . . 74.53 108.062 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 69' ' ' ILE . 78.6 t -103.28 117.08 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.999 -0.741 . . . . 72.34 108.999 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 28.6 tt0 -127.1 114.64 18.0 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.954 0.407 . . . . 71.33 110.795 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 t -88.93 114.34 26.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.415 1.086 . . . . 64.22 109.868 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -99.07 105.29 17.38 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.668 0.787 . . . . 75.43 109.453 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.608 HD12 ' HB3' ' A' ' 72' ' ' LYS . 12.3 mt -134.91 120.6 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 123.633 0.773 . . . . 61.11 109.532 177.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.1 m120 54.8 23.16 4.66 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.024 1.33 . . . . 74.33 113.933 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.98 -25.25 16.97 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-O 120.115 -0.269 . . . . 65.23 112.714 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -83.26 147.16 28.15 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.252 0.621 . . . . 64.55 110.742 -175.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -126.02 112.84 16.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.875 0.87 . . . . 75.11 110.139 -175.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.566 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 25.1 t70 -89.67 107.27 18.99 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.443 -1.317 . . . . 74.21 107.443 172.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -103.07 118.07 35.98 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.243 -0.651 . . . . 61.34 109.243 -173.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.5 mt -127.82 133.77 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 N-CA-C 107.859 -1.163 . . . . 72.24 107.859 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' HG13 ' A' ' 40' ' ' VAL . 23.8 mtp180 -128.31 105.9 8.65 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.699 -0.852 . . . . 73.42 108.699 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.6 m -111.8 152.01 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.433 1.093 . . . . 74.54 108.593 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 76.5 mtt180 -127.62 -85.75 0.59 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.08 0.4 . . . . 63.5 109.942 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.17 83.19 6.5 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 108.225 -1.028 . . . . 75.11 108.225 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.559 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.6 pp -109.31 164.82 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 114.949 -1.023 . . . . 53.42 110.52 177.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.2 m -105.21 -178.36 3.63 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.871 0.868 . . . . 60.24 110.16 177.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.88 85.59 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 113.396 0.887 . . . . 72.31 113.396 -170.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.3 -28.41 25.31 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 118.08 0.4 . . . . 73.02 110.487 178.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.54 -44.1 95.18 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.888 -0.596 . . . . 75.2 111.241 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.626 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.4 pp -68.11 -23.91 64.97 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 122.504 0.322 . . . . 72.33 111.031 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HA ' HD21 ' A' ' 66' ' ' LEU . 98.2 mttt -64.32 -28.91 70.04 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 115.949 -0.569 . . . . 74.53 111.004 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -65.04 -20.75 66.64 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 123.503 0.502 . . . . 23.23 111.433 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.85 -59.5 3.25 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.9 0.48 . . . . 72.24 109.731 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.613 ' HA ' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -68.7 -19.02 64.36 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 119.136 -0.459 . . . . 55.24 111.922 178.78 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 11.9 mm-40 -64.97 -50.73 65.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.013 0.525 . . . . 74.44 110.457 170.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 2.0 mmp_? -58.76 -40.97 85.46 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.756 0.422 . . . . 73.41 110.867 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 66' ' ' LEU . 70.6 mt -63.13 -51.16 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.52 1.128 . . . . 72.24 111.066 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HB3' HD21 ' A' ' 22' ' ' LEU . 4.1 ppt_? -66.22 -29.69 70.0 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 115.843 -0.617 . . . . 72.4 110.901 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 40.9 mt-10 -62.83 -40.79 98.51 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.251 0.97 . . . . 73.55 109.194 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.608 ' HB3' HD12 ' A' ' 45' ' ' ILE . 44.8 mmtm -65.88 -53.45 39.45 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.084 0.865 . . . . 73.31 109.785 -175.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.1 pt -73.82 -25.75 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 N-CA-C 112.913 0.709 . . . . 62.11 112.913 -173.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.17 -39.36 41.11 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 117.836 0.289 . . . . 61.43 110.482 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -79.52 -36.85 37.84 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 120.556 0.217 . . . . 74.4 110.429 -176.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -71.41 -57.63 4.26 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.59 0.756 . . . . 65.02 109.758 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.82 -48.83 3.74 Favored Glycine 0 C--N 1.339 0.745 0 CA-C-N 115.822 -0.626 . . . . 52.51 111.989 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.1 m -52.44 118.33 3.5 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.966 0.906 . . . . 74.21 111.381 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.1 m -72.98 77.75 1.18 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.001 0.92 . . . . 72.14 110.579 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -153.53 85.39 1.19 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.523 -1.288 . . . . 73.32 107.523 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.38 129.34 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.659 -0.7 . . . . 75.21 110.263 -175.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -131.02 106.14 8.2 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.325 -0.991 . . . . 71.12 108.325 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.4 t -98.54 111.89 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 108.231 -1.025 . . . . 75.34 108.231 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.25 106.25 17.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.454 -1.313 . . . . 73.03 107.454 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 66.9 t -97.49 111.98 28.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 N-CA-C 107.773 -1.195 . . . . 62.03 107.773 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.506 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 27.2 m-70 -106.27 142.64 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.92 -1.141 . . . . 62.23 107.92 -177.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p -159.95 103.05 1.48 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.423 -0.584 . . . . 62.45 109.423 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 51.99 58.02 11.52 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 123.697 0.623 . . . . 72.1 113.645 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.25 -30.61 5.11 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-O 119.75 -0.472 . . . . 71.45 114.035 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -84.79 130.36 34.69 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.572 0.749 . . . . 54.41 110.69 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.1 m -134.43 128.02 32.69 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 118.421 0.555 . . . . 75.35 111.431 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -112.28 119.1 37.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.832 1.253 . . . . 75.15 108.928 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.3 p -95.58 102.57 14.39 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.47 -0.567 . . . . 72.13 109.47 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.5 130.39 35.84 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.159 0.984 . . . . 75.43 109.596 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--O 1.24 0.577 0 C-N-CA 123.029 0.532 . . . . 74.44 110.214 -179.162 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 112.246 0.462 . . . . 70.3 112.246 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.586 ' HB3' HD13 ' A' ' 66' ' ' LEU . 55.3 mt -65.38 -44.66 86.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.142 0.577 . . . . 70.13 110.871 -178.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 35.1 tt0 -56.18 -42.2 76.74 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.77 0.669 . . . . 54.42 110.676 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -61.68 -34.79 76.36 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.202 -0.908 . . . . 75.34 110.909 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.5 mt -75.59 -42.05 53.0 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.308 0.643 . . . . 75.55 109.447 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -55.54 -44.53 76.84 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 114.885 -1.052 . . . . 72.12 111.229 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.1 mm-40 -59.42 -39.06 82.28 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.961 0.788 . . . . 74.33 111.57 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.65 -44.75 69.94 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.265 0.353 . . . . 71.2 110.781 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.575 ' HB2' HD13 ' A' ' 62' ' ' LEU . 19.4 m-85 -63.69 -36.54 84.2 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.306 -0.406 . . . . 75.35 110.786 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -72.14 -28.75 63.46 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.501 0.72 . . . . 53.41 110.653 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -64.28 -36.86 85.46 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.227 0.611 . . . . 70.44 109.889 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD21 ' CH2' ' A' ' 92' ' ' TRP . 69.9 mt -77.54 -29.91 52.54 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.282 1.033 . . . . 64.12 111.701 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -56.35 -20.48 19.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.676 1.19 . . . . 61.31 112.947 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.36 -40.22 64.79 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.271 0.628 . . . . 75.33 112.056 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 37' ' ' THR . 3.1 ptm180 -117.97 -0.63 11.63 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.592 1.157 . . . . 61.21 110.268 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.42 -66.77 2.62 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.482 -0.781 . . . . 73.33 112.127 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.487 HG23 ' HG3' ' A' ' 35' ' ' ARG . 73.1 p 50.47 171.12 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.353 1.861 . . . . 51.4 114.971 -177.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 11.4 pt-20 -106.98 105.36 15.35 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.771 -1.104 . . . . 72.51 109.273 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.7 mt -94.71 110.45 23.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 116.023 -0.535 . . . . 64.13 109.564 -172.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -102.86 104.99 17.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 107.833 -1.173 . . . . 61.13 107.833 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.521 HG11 HD11 ' A' ' 69' ' ' ILE . 57.5 t -94.8 116.7 36.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 108.888 -0.782 . . . . 62.24 108.888 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 44.4 tt0 -111.09 106.94 16.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.617 0.767 . . . . 74.54 109.25 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.47 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 43.2 t -96.9 105.56 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.374 0.67 . . . . 60.3 109.543 -174.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.639 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 65.5 m170 -86.8 108.03 18.55 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.728 0.811 . . . . 72.33 109.293 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.4 mt -127.38 123.65 62.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 124.061 0.944 . . . . 73.23 109.144 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 m120 61.64 27.31 16.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.0 0.92 . . . . 75.34 112.22 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.26 -23.19 35.89 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 116.072 -0.513 . . . . 54.32 113.159 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -81.49 136.22 35.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.039 0.936 . . . . 64.33 111.516 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -93.54 116.01 28.52 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.367 0.603 . . . . 73.12 109.94 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 20.5 t70 -89.12 135.33 33.62 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 107.866 -1.161 . . . . 74.51 107.866 171.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -116.22 122.34 44.71 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.299 0.499 . . . . 71.13 110.886 -175.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -121.65 127.57 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 107.419 -1.326 . . . . 64.05 107.419 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -122.38 128.21 50.68 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 118.327 0.512 . . . . 75.4 109.934 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.9 142.77 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.007 -1.108 . . . . 74.43 108.007 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 33.8 mtp-105 -133.41 110.47 10.03 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.305 0.502 . . . . 62.14 110.913 -174.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.4 m120 61.18 87.76 0.09 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.042 1.337 . . . . 74.05 111.591 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.503 ' HB ' ' HB2' ' A' ' 61' ' ' GLU . 1.3 pp -139.9 172.01 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.104 0.961 . . . . 61.25 111.003 -173.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -86.26 175.29 8.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.991 0.917 . . . . 75.11 111.712 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 25.0 pttm -59.63 -33.78 71.94 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.403 0.681 . . . . 53.0 111.412 178.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 14.3 pt-20 -77.24 -26.13 52.27 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.041 0.536 . . . . 70.25 111.714 -177.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HB2' ' HB ' ' A' ' 57' ' ' ILE . 38.4 mm-40 -90.66 -26.48 19.58 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.663 0.616 . . . . 74.23 112.663 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 29' ' ' PHE . 4.3 pp -73.34 -20.35 60.8 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.741 -0.466 . . . . 70.31 109.741 171.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 60' ' ' GLU . 9.4 mtmp? -57.42 -34.73 69.22 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-N 115.965 -0.561 . . . . 75.42 109.714 168.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 30.9 mmtp -59.62 -23.57 63.1 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.725 0.41 . . . . 73.21 111.108 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' HG13 ' A' ' 69' ' ' ILE . 90.7 mt -70.72 -51.64 26.14 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.556 0.743 . . . . 64.14 110.823 177.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.3 pp -74.34 -19.43 60.46 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.101 0.561 . . . . 75.21 111.521 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 44.6 mt-10 -79.0 -30.93 44.55 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.634 0.773 . . . . 63.24 109.613 173.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 15.2 mmt180 -63.68 -45.65 89.11 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.748 -0.464 . . . . 54.23 109.748 167.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.521 HD11 HG11 ' A' ' 41' ' ' VAL . 78.2 mt -65.66 -35.62 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.98 0.912 . . . . 71.53 110.868 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 9.9 ptt180 -64.9 -35.67 81.88 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.585 -0.524 . . . . 63.11 109.585 -178.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 46.4 mt-10 -61.52 -32.81 72.87 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.427 0.632 . . . . 72.05 109.684 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 23.8 mmtp -76.83 -47.78 20.43 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.372 -0.831 . . . . 70.44 110.174 -174.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.25 -19.86 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 116.669 -0.241 . . . . 64.5 111.579 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -83.87 -56.56 3.63 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.269 0.627 . . . . 72.22 111.96 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -79.39 -46.51 17.45 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.642 0.377 . . . . 72.13 110.443 -171.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 1.2 mp0 -77.04 -46.97 21.91 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.047 -0.723 . . . . 72.41 109.047 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.71 30.28 65.56 Favored Glycine 0 C--N 1.352 1.437 0 O-C-N 123.612 0.57 . . . . 73.24 113.933 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.1 m -90.93 130.48 36.86 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.268 0.627 . . . . 32.34 110.187 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 m -71.63 -27.43 63.09 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.717 0.807 . . . . 31.24 110.657 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -81.79 74.26 8.78 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.49 1.138 . . . . 73.44 109.084 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.02 133.84 67.14 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.242 -1.345 . . . . 70.54 108.846 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 35.4 tt0 -138.83 109.47 6.61 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.636 0.774 . . . . 74.21 109.319 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.15 111.55 25.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.541 -0.911 . . . . 70.5 108.541 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 25.5 m-80 -106.45 107.5 18.54 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.236 1.014 . . . . 73.54 108.316 -176.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.4 t -94.18 114.71 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.932 -0.766 . . . . 63.44 108.932 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -107.49 140.49 40.38 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 107.693 -1.225 . . . . 63.34 107.693 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 32.5 p -159.11 103.93 1.67 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 122.957 0.503 . . . . 44.03 110.368 177.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.08 29.52 71.21 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 115.676 -0.693 . . . . 74.13 114.127 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.16 -27.63 11.48 Favored Glycine 0 C--N 1.345 1.062 0 C-N-CA 122.918 0.294 . . . . 54.42 113.114 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -79.82 142.72 35.03 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.124 0.57 . . . . 65.13 110.109 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.7 m -137.04 140.45 42.07 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.622 0.769 . . . . 74.22 110.893 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.511 ' CH2' HD21 ' A' ' 32' ' ' LEU . 28.0 m-90 -132.0 115.77 16.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.363 1.065 . . . . 74.32 108.256 173.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 p -96.03 104.22 16.15 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.611 -0.514 . . . . 74.0 109.611 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -99.86 132.59 45.12 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.485 -0.931 . . . . 72.34 108.485 175.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.7 p30 . . . . . 0 N--CA 1.474 0.749 0 C-N-CA 123.332 0.653 . . . . 54.3 109.598 179.442 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.475 0.782 0 CA-C-O 121.853 0.835 . . . . 72.13 110.031 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 70' ' ' ARG . 85.4 mt -68.83 -36.4 78.14 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 113.925 -1.489 . . . . 74.23 110.963 -173.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 13.7 tm-20 -59.73 -38.13 80.82 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.853 0.861 . . . . 74.32 110.73 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -65.03 -34.44 78.44 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.399 0.68 . . . . 65.21 111.359 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.0 -34.18 57.51 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 109.078 -0.712 . . . . 74.02 109.078 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HG3' HD11 ' A' ' 66' ' ' LEU . 26.9 ttp180 -64.01 -40.75 97.06 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.997 1.319 . . . . 73.33 109.717 -174.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 12.2 mm100 -53.34 -53.67 47.64 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.68 1.237 . . . . 65.34 109.691 176.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.32 -41.03 92.66 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 114.517 -1.22 . . . . 61.24 111.548 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 23.1 m-85 -66.84 -39.55 87.67 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.407 -0.361 . . . . 74.33 111.235 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.98 -36.1 82.4 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.944 0.898 . . . . 74.3 110.81 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 15.9 mm-40 -65.49 -54.49 27.58 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.841 0.713 . . . . 73.24 110.64 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' HB3' HG22 ' A' ' 37' ' ' THR . 85.7 mt -70.0 -25.22 63.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.531 0.732 . . . . 75.33 111.332 -176.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.464 ' NE2' ' HA ' ' A' ' 58' ' ' SER . 9.8 t-80 -55.88 -24.56 37.85 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.974 1.309 . . . . 74.22 112.405 175.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.97 -36.74 40.59 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.212 0.605 . . . . 71.44 111.567 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -20.34 10.56 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.784 0.433 . . . . 73.33 110.36 174.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.37 55.78 14.24 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.91 -0.587 . . . . 53.4 112.262 -174.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 32' ' ' LEU . 14.1 t -69.82 159.95 32.66 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.141 0.577 . . . . 32.32 110.521 177.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.59 100.66 1.48 Allowed 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 121.888 0.851 . . . . 65.31 110.654 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.67 HD12 HD11 ' A' ' 57' ' ' ILE . 44.4 mt -95.29 110.04 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 124.234 1.014 . . . . 60.13 109.442 178.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.47 103.81 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 108.005 -1.109 . . . . 63.41 108.005 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.6 t -93.9 112.28 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 107.251 -1.389 . . . . 73.43 107.251 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 42.1 tt0 -116.05 108.18 15.88 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.528 0.68 . . . . 73.25 109.902 -172.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.496 HG11 ' HG3' ' A' ' 72' ' ' LYS . 57.5 t -91.69 105.75 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 124.834 1.254 . . . . 74.2 109.724 -174.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.581 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 33.0 m170 -92.75 100.28 12.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.04 0.936 . . . . 75.54 109.546 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.544 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 18.4 mt -128.53 128.88 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 109.676 -0.49 . . . . 71.13 109.676 175.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.454 ' OD1' HG22 ' A' ' 45' ' ' ILE . 28.0 m120 63.04 21.78 13.08 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 125.021 1.328 . . . . 73.11 111.718 -176.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.88 -17.42 56.69 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 116.502 -0.317 . . . . 72.53 112.59 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -80.33 144.64 32.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.274 1.03 . . . . 74.34 110.395 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -108.15 137.0 46.89 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 123.537 0.735 . . . . 73.3 109.996 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.447 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 34.0 t70 -123.62 113.82 19.18 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.204 -1.036 . . . . 73.0 108.204 171.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.52 127.01 43.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.505 0.722 . . . . 61.22 109.182 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.15 111.45 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.022 -1.103 . . . . 72.23 108.022 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -100.79 106.12 17.49 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.213 0.53 . . . . 74.51 110.122 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.85 153.89 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.939 1.296 . . . . 62.21 108.112 174.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mtp-105 -121.02 -77.6 0.59 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.205 0.526 . . . . 73.11 110.044 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -98.46 41.23 1.14 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.268 -0.878 . . . . 74.4 110.059 -164.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.67 HD11 HD12 ' A' ' 39' ' ' ILE . 1.6 pp -62.87 114.98 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 114.905 -1.043 . . . . 45.51 111.391 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.464 ' HA ' ' NE2' ' A' ' 33' ' ' HIS . 49.9 m -77.46 -173.45 2.92 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.256 -0.883 . . . . 72.34 111.919 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -53.29 -44.83 68.59 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 113.18 0.807 . . . . 71.35 113.18 -171.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.17 -29.89 21.43 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.59 0.756 . . . . 64.41 110.909 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -71.93 -30.16 65.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.334 0.654 . . . . 52.01 112.415 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.3 pp -75.51 -25.32 57.16 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.204 0.526 . . . . 53.22 109.99 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 8.5 mtpt -60.86 -25.84 66.94 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 115.07 -0.968 . . . . 62.43 111.205 171.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 31.0 mmmt -58.52 -34.62 71.16 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 123.443 0.464 . . . . 72.25 110.219 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 62' ' ' LEU . 3.5 mm? -69.22 -37.36 77.99 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.013 0.821 . . . . 74.14 110.469 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.541 HD11 ' HG3' ' A' ' 26' ' ' ARG . 43.2 mt -65.84 -40.98 92.29 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.421 -0.808 . . . . 73.11 109.772 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 12.7 mm-40 -71.47 -25.4 62.27 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.984 -1.007 . . . . 43.34 110.938 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 24.2 mmt180 -81.22 -20.24 41.51 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.373 0.669 . . . . 73.54 112.266 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.8 mt -86.29 -48.6 15.73 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 CA-C-O 121.257 0.551 . . . . 71.14 110.334 173.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HB3' HD11 ' A' ' 22' ' ' LEU . 15.0 ptm180 -61.39 -35.32 77.16 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 115.5 -0.773 . . . . 63.43 110.734 -174.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 13.0 pt-20 -62.44 -35.3 78.84 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 122.528 0.331 . . . . 73.42 110.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 45' ' ' ILE . 41.3 mmtm -69.85 -49.77 49.2 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.121 0.888 . . . . 62.21 109.977 -176.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.12 -21.61 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.993 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.08 -42.11 17.81 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.188 0.595 . . . . 61.32 112.235 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 13.6 ptm180 -72.36 -43.49 63.95 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 117.998 0.363 . . . . 72.34 111.005 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.437 ' HG2' ' HG3' ' A' ' 75' ' ' ARG . 16.0 mm-40 -81.49 -41.36 21.85 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.581 0.752 . . . . 55.5 110.694 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.07 15.32 64.97 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 115.462 -0.79 . . . . 70.21 112.674 -174.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -87.22 135.02 33.46 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.135 0.974 . . . . 62.44 110.111 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 m -78.6 -7.5 57.65 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 124.238 0.962 . . . . 62.13 111.124 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 19.1 mp0 -82.31 53.39 2.27 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.44 1.496 . . . . 62.33 110.348 -176.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.447 ' HA ' HG12 ' A' ' 45' ' ' ILE . 3.0 p -106.92 128.93 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.255 0.622 . . . . 73.52 111.05 -173.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 30.4 tt0 -142.8 109.86 5.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.649 0.779 . . . . 75.24 109.522 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.72 109.44 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 108.699 -0.852 . . . . 70.24 108.699 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -102.57 108.36 19.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.718 0.807 . . . . 73.12 108.888 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.6 104.76 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 108.509 -0.923 . . . . 73.4 108.509 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -99.48 112.89 25.02 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 107.369 -1.345 . . . . 72.11 107.369 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.569 ' HB3' ' HA ' ' A' ' 39' ' ' ILE . 34.5 p -155.56 142.03 18.64 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.452 -0.573 . . . . 75.33 109.452 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.61 -96.4 0.43 Allowed Glycine 0 C--N 1.352 1.456 0 O-C-N 124.157 0.911 . . . . 72.1 112.401 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.81 12.01 2.39 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.713 -0.555 . . . . 54.33 111.713 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -121.09 160.17 24.21 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.942 0.897 . . . . 72.44 110.874 -176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 80.4 m -132.68 114.57 14.34 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.053 0.941 . . . . 72.33 109.087 172.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 -87.95 113.2 23.37 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.268 -1.012 . . . . 62.51 108.268 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.0 m -102.71 103.81 14.08 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.236 -0.653 . . . . 71.04 109.236 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 82' ' ' GLU . 72.5 m-85 -89.55 107.0 18.83 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 107.517 -1.29 . . . . 64.33 107.517 173.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 N--CA 1.479 0.987 0 C-N-CA 123.944 0.898 . . . . 71.43 110.043 -173.318 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.862 0.363 . . . . 62.4 111.423 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.63 -45.61 74.86 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.748 0.819 . . . . 43.42 110.099 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 21.2 tp10 -56.55 -36.21 69.02 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.586 0.754 . . . . 74.2 110.664 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -61.16 -41.35 96.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.179 0.592 . . . . 70.01 110.751 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.3 -31.64 64.15 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.889 -0.596 . . . . 71.53 110.235 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.575 ' HG3' HD11 ' A' ' 62' ' ' LEU . 27.2 ttt180 -57.49 -46.81 83.31 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.595 0.559 . . . . 64.31 110.389 173.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.3 mm-40 -57.73 -30.87 65.9 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.751 0.657 . . . . 63.52 111.314 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 31' ' ' GLU . 53.1 tp -77.4 -40.59 43.14 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.884 -0.598 . . . . 54.44 110.902 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' A' ' 62' ' ' LEU . 18.4 m-85 -67.3 -25.85 66.24 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.245 0.218 . . . . 55.21 110.754 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 33' ' ' HIS . 49.2 mt-10 -80.9 -37.34 29.84 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.976 0.91 . . . . 74.2 110.242 175.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 18.2 tp10 -54.61 -34.36 61.93 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.414 1.086 . . . . 31.55 110.611 170.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD21 ' CH2' ' A' ' 92' ' ' TRP . 48.2 mt -89.88 -32.05 17.05 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.63 0.772 . . . . 72.14 111.418 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 30' ' ' GLU . 10.4 t-160 -61.38 -29.14 69.73 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.066 0.946 . . . . 74.12 111.754 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 13.1 pt-20 -65.46 -22.16 66.72 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.188 0.44 . . . . 73.23 112.188 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -19.86 13.53 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 110.12 -0.326 . . . . 73.54 110.12 170.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.18 29.42 75.29 Favored Glycine 0 C--N 1.345 1.066 0 O-C-N 123.549 0.53 . . . . 45.2 113.842 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 t -83.04 172.54 12.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.023 0.529 . . . . 62.51 110.153 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 11.7 pt-20 -66.52 117.58 8.92 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 121.89 0.853 . . . . 73.32 110.987 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.458 HD12 HD11 ' A' ' 57' ' ' ILE . 31.7 mt -101.94 108.15 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.787 1.235 . . . . 43.53 108.164 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.81 101.77 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 108.272 -1.01 . . . . 74.13 108.272 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.4 HG23 HG22 ' A' ' 39' ' ' ILE . 59.4 t -104.5 138.77 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 108.413 -0.958 . . . . 62.14 108.413 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 41.6 tt0 -136.09 132.74 36.52 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.941 -0.392 . . . . 71.31 109.941 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.597 HG11 ' HG3' ' A' ' 72' ' ' LYS . 64.9 t -87.02 137.19 21.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.198 0.999 . . . . 72.23 108.37 175.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -132.07 102.75 5.94 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.428 1.091 . . . . 54.03 109.071 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.528 HG12 ' HA ' ' A' ' 81' ' ' VAL . 55.4 mt -133.81 100.47 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.724 0.81 . . . . 55.01 108.921 174.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 72.05 -71.43 0.13 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.514 1.525 . . . . 74.45 111.175 174.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.46 -18.12 0.57 Allowed Glycine 0 N--CA 1.47 0.919 0 CA-C-N 115.363 -0.835 . . . . 44.34 111.394 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -77.89 108.83 11.41 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 123.303 0.641 . . . . 71.35 109.493 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 13.3 ptm180 -120.77 115.06 22.57 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.122 -0.944 . . . . 74.14 109.426 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 23.7 t70 -116.19 110.96 19.51 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.07 -0.968 . . . . 74.42 109.395 -175.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -92.42 132.27 36.9 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.1 -0.704 . . . . 71.32 109.1 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -136.84 133.8 48.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 107.637 -1.246 . . . . 73.12 107.637 -174.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -127.71 110.86 13.06 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 118.381 0.537 . . . . 74.53 109.871 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.511 HG21 HD21 ' A' ' 65' ' ' LEU . 30.2 m -123.49 149.9 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.562 1.145 . . . . 74.23 108.596 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 33.4 mtp85 -126.43 -83.12 0.62 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 119.229 0.922 . . . . 71.2 110.985 -175.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -92.93 94.88 9.16 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 107.839 -1.171 . . . . 73.32 107.839 177.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.653 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -137.15 127.51 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 114.989 -1.005 . . . . 64.3 109.901 -174.614 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -73.43 177.09 5.49 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.483 0.713 . . . . 43.23 110.795 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.74 -33.37 68.39 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.237 1.199 . . . . 74.21 114.237 -168.628 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -89.41 -28.15 19.94 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 118.098 0.408 . . . . 73.12 111.371 177.553 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -67.91 -37.89 82.25 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.845 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.653 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.5 pp -73.85 -20.8 60.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.85 0.357 . . . . 74.31 110.627 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HG2' HD12 ' A' ' 66' ' ' LEU . 9.6 mtpm? -64.76 -17.66 64.37 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-O 118.318 -0.848 . . . . 75.35 111.59 171.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.79 -26.66 68.23 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 118.951 0.796 . . . . 51.42 110.716 174.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 54' ' ' VAL . 2.0 mm? -64.78 -47.05 79.55 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.375 -0.972 . . . . 63.45 108.375 172.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.48 HD12 ' HG2' ' A' ' 63' ' ' LYS . 58.2 mt -66.83 -28.26 68.22 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.54 -1.209 . . . . 70.55 111.035 178.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 27.7 mm-40 -74.37 -25.35 59.45 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 123.575 0.547 . . . . 72.25 110.376 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 65.0 mtt180 -77.91 -54.33 6.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.217 0.207 . . . . 72.42 110.609 170.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.57 -43.72 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.038 0.935 . . . . 74.14 110.254 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 ptm85 -57.09 -41.84 79.64 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.754 0.659 . . . . 71.51 111.51 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 41.0 mt-10 -59.15 -40.7 86.34 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.027 0.83 . . . . 51.44 110.445 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.597 ' HG3' HG11 ' A' ' 43' ' ' VAL . 67.2 mmtt -72.02 -48.54 43.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.891 -1.05 . . . . 75.1 108.55 -172.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.4 pt -72.49 -28.49 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 116.209 -0.45 . . . . 64.0 111.672 -175.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -85.45 -28.46 25.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.31 0.244 . . . . 71.04 111.214 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -85.98 -36.19 19.96 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.356 -0.215 . . . . 72.31 110.739 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -83.6 -53.28 5.78 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.201 0.6 . . . . 70.22 109.524 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.31 29.1 73.48 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 115.19 -0.914 . . . . 61.11 112.392 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -78.32 157.54 29.13 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.61 0.764 . . . . 73.43 111.025 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.4 p -69.19 -38.36 78.62 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.315 -0.857 . . . . 74.13 110.201 172.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.32 98.54 9.5 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 120.969 0.414 . . . . 75.53 109.907 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.528 ' HA ' HG12 ' A' ' 45' ' ' ILE . 27.2 m -125.52 122.06 61.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 107.723 -1.214 . . . . 71.4 107.723 169.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -138.01 136.29 36.76 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 120.793 0.33 . . . . 74.0 111.173 -175.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.6 t -122.28 118.28 54.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.834 0.853 . . . . 65.34 109.523 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -107.72 110.36 22.18 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.786 0.835 . . . . 62.43 109.981 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.26 134.07 48.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 109.299 -0.63 . . . . 51.3 109.299 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -133.68 112.5 11.47 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.002 -1.111 . . . . 73.12 108.002 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -159.21 126.03 4.64 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 123.046 0.216 . . . . 65.12 110.858 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.43 31.45 76.84 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 124.042 0.839 . . . . 51.21 114.058 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.5 9.46 86.44 Favored Glycine 0 C--N 1.348 1.216 0 C-N-CA 123.136 0.398 . . . . 75.31 113.677 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -113.2 146.13 39.8 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.985 0.914 . . . . 73.44 110.196 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.1 m -131.85 132.78 43.98 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.827 0.851 . . . . 71.44 110.356 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.403 ' CH2' HD21 ' A' ' 32' ' ' LEU . 23.5 m-90 -127.64 151.69 48.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.076 0.95 . . . . 75.41 109.999 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.9 m -134.14 104.5 6.23 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.542 0.737 . . . . 72.45 109.508 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -100.29 108.9 21.07 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.335 0.654 . . . . 65.52 109.693 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 N--CA 1.473 0.725 0 C-N-CA 124.092 0.957 . . . . 73.33 108.548 -179.747 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.666 ' HB2' HH11 ' A' ' 24' ' ' ARG . 4.5 pp . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 111.676 0.25 . . . . 62.44 111.676 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 66' ' ' LEU . 91.9 mt -65.77 -27.84 68.58 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.5 -0.773 . . . . 54.51 111.283 173.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 5.7 tp10 -57.81 -41.47 82.25 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.517 0.727 . . . . 63.51 111.197 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.666 HH11 ' HB2' ' A' ' 21' ' ' LEU . 41.5 mtp180 -53.97 -29.98 45.14 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.523 1.129 . . . . 74.33 111.631 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.3 mt -87.28 -43.23 12.33 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.777 0.831 . . . . 75.53 110.505 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.707 ' HB2' HD21 ' A' ' 66' ' ' LEU . 29.7 ttp180 -60.03 -46.71 88.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.047 0.939 . . . . 71.42 111.532 -172.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 24.9 mm-40 -52.52 -46.25 66.61 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 124.875 1.359 . . . . 63.42 110.312 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.7 tp -63.89 -47.62 79.88 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.364 -0.834 . . . . 62.12 111.604 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -60.49 -31.77 70.79 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.505 0.503 . . . . 73.43 111.827 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.01 -35.88 64.42 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.516 0.726 . . . . 73.45 110.767 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 25.8 mm-40 -72.17 -19.14 61.8 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.055 0.542 . . . . 63.54 111.342 176.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 86.5 mt -90.31 -30.42 17.48 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.409 0.623 . . . . 71.14 110.428 171.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.28 -38.46 89.42 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 115.745 -0.661 . . . . 74.31 111.066 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.9 -14.76 63.22 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.893 0.701 . . . . 73.41 112.893 -176.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 3.6 ptm85 -107.87 -18.19 13.87 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 122.352 0.261 . . . . 51.41 110.356 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.41 49.45 56.54 Favored Glycine 0 C--N 1.353 1.474 0 O-C-N 123.631 0.582 . . . . 54.54 112.013 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.421 HG21 ' HB2' ' A' ' 87' ' ' SER . 11.5 t -90.66 167.65 12.36 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.45 0.7 . . . . 72.15 111.062 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 11.0 pt-20 -79.67 117.18 20.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.256 -0.884 . . . . 72.32 109.208 171.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.766 HD12 HD11 ' A' ' 57' ' ' ILE . 53.0 mt -104.12 132.88 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.781 0.832 . . . . 72.5 108.831 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 60.2 t -120.11 108.36 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 108.096 -1.076 . . . . 72.32 108.096 174.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.9 t -93.02 121.59 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.742 -0.836 . . . . 74.21 108.742 -176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 35.6 tt0 -122.35 105.56 10.3 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.171 -0.677 . . . . 61.22 109.171 -175.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -98.46 125.77 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.26 0.624 . . . . 64.14 109.517 -175.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.538 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 48.4 m-70 -115.8 115.61 26.59 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.089 0.956 . . . . 74.15 108.579 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 80' ' ' GLU . 53.0 mt -134.98 114.96 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 C-N-CA 122.91 0.484 . . . . 71.31 109.782 177.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.6 m120 67.79 -63.05 0.32 Allowed 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.052 1.741 . . . . 74.01 111.534 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.65 24.63 0.1 Allowed Glycine 0 C--N 1.342 0.915 0 CA-C-N 116.262 -0.426 . . . . 52.43 112.529 174.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 8.2 mm-40 -101.13 142.55 32.42 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.786 0.834 . . . . 61.31 109.414 171.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -126.7 111.73 14.62 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-O 121.912 0.863 . . . . 71.41 109.094 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.502 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 29.9 m-20 -98.53 137.71 36.79 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.108 -1.071 . . . . 73.45 108.108 174.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -132.87 107.53 8.38 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.69 -0.485 . . . . 62.15 109.69 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.498 HG22 HG13 ' A' ' 54' ' ' VAL . 26.5 mt -114.5 107.73 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 107.965 -1.124 . . . . 74.41 107.965 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.49 104.3 16.34 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 107.989 -1.115 . . . . 61.11 107.989 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.498 HG13 HG22 ' A' ' 52' ' ' ILE . 3.1 m -112.4 105.18 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 124.33 1.052 . . . . 71.02 109.302 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.579 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 24.7 mtp-105 -103.14 126.29 50.25 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.989 -0.745 . . . . 74.35 108.989 -174.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 59.23 32.76 22.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.647 0.779 . . . . 74.04 111.214 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.766 HD11 HD12 ' A' ' 39' ' ' ILE . 1.5 pp -67.83 155.7 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 116.012 -0.54 . . . . 63.03 111.636 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 m -87.32 -178.17 6.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.196 -0.911 . . . . 65.53 111.578 -170.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 38.9 ttpt -68.49 -51.59 41.6 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.589 0.755 . . . . 54.33 112.135 -170.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -27.63 55.73 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.169 0.588 . . . . 74.43 110.711 175.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 36.4 tt0 -70.52 -32.32 69.74 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.15 -0.932 . . . . 72.14 112.296 -177.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.6 pp -68.93 -26.5 65.1 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.063 0.459 . . . . 70.3 110.514 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.53 ' HA ' HD13 ' A' ' 66' ' ' LEU . 88.3 mttt -69.4 -20.62 63.81 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.551 -0.749 . . . . 62.25 110.737 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 61' ' ' GLU . 13.1 mmmm -70.06 -22.65 63.04 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 109.941 -0.392 . . . . 74.34 109.941 176.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.02 -45.08 78.6 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 109.471 -0.566 . . . . 75.25 109.471 173.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 26' ' ' ARG . 9.5 mp -58.76 -42.21 88.39 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.255 0.972 . . . . 53.13 111.375 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 11.0 pt-20 -68.84 -37.88 79.44 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 123.498 0.499 . . . . 72.43 110.744 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -58.78 -45.88 88.8 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 117.832 0.287 . . . . 62.35 111.2 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 65' ' ' LEU . 70.5 mt -65.43 -48.51 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.862 0.865 . . . . 65.22 110.372 -178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 14.4 ptm180 -64.69 -32.76 74.57 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.196 -0.457 . . . . 63.01 110.956 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 40.2 mt-10 -56.96 -43.87 82.03 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 109.117 -0.697 . . . . 74.53 109.117 173.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -68.38 -43.38 77.47 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.682 0.614 . . . . 73.33 110.91 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 70' ' ' ARG . 1.3 pp -66.09 -28.93 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 CA-C-O 121.044 0.45 . . . . 73.41 110.302 -177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -86.61 -27.08 24.08 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.337 1.055 . . . . 70.43 112.932 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 71' ' ' GLU . 94.1 mtt180 -75.9 -46.09 31.91 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.395 0.617 . . . . 62.31 109.652 175.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -74.25 -29.5 61.72 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 114.767 -1.106 . . . . 63.1 111.366 -174.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.03 -58.02 4.98 Favored Glycine 0 C--O 1.218 -0.878 0 CA-C-N 115.88 -0.6 . . . . 60.13 111.963 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -51.62 140.21 19.0 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.528 1.131 . . . . 74.12 113.088 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.2 t -78.6 0.18 27.36 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.576 0.75 . . . . 72.11 110.397 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 45' ' ' ILE . 9.8 tp10 -63.93 86.82 0.04 OUTLIER 'General case' 0 C--N 1.357 0.908 0 C-N-CA 124.67 1.188 . . . . 71.21 110.51 173.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.4 t -133.34 142.05 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 124.245 1.018 . . . . 72.33 109.487 -175.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 31.9 tt0 -142.77 105.8 4.55 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.278 1.031 . . . . 65.24 108.559 175.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.7 t -100.17 111.2 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.262 -0.644 . . . . 63.54 109.262 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 20.1 m-80 -101.57 105.13 16.05 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.004 -1.109 . . . . 73.11 108.004 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.12 117.9 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.781 -0.822 . . . . 63.2 108.781 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.532 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 76.9 m-70 -102.71 148.16 25.94 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.881 0.872 . . . . 73.04 108.727 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.421 ' HB2' HG21 ' A' ' 37' ' ' THR . 67.0 p -158.58 106.55 1.9 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.708 0.403 . . . . 74.53 110.278 175.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.05 -75.22 0.78 Allowed Glycine 0 CA--C 1.534 1.239 0 O-C-N 123.395 0.435 . . . . 63.33 112.129 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -152.96 28.65 0.81 Allowed Glycine 0 C--N 1.341 0.828 0 C-N-CA 123.477 0.56 . . . . 73.0 111.702 171.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 96.0 mt-30 -115.4 122.15 44.94 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.016 0.926 . . . . 63.11 109.912 -176.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.3 m -119.59 117.55 28.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.864 0.866 . . . . 75.51 109.701 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -108.48 115.2 29.65 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.331 0.652 . . . . 73.42 109.395 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 75.4 m -94.95 104.55 16.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.511 0.724 . . . . 73.2 109.483 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -91.23 113.28 25.5 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.003 0.921 . . . . 74.13 108.755 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--O 1.239 0.544 0 N-CA-C 106.81 -1.552 . . . . 74.12 106.81 174.126 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt . . . . . 0 N--CA 1.486 1.333 0 N-CA-C 109.656 -0.498 . . . . 71.22 109.656 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.723 ' HB3' HD13 ' A' ' 66' ' ' LEU . 75.0 mt -60.8 -32.75 72.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.202 1.001 . . . . 75.55 112.181 -174.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.4 tp10 -68.0 -32.11 72.26 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.871 0.868 . . . . 75.31 109.865 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -68.14 -27.67 66.64 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.713 -0.676 . . . . 74.51 110.153 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.81 -38.13 33.63 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 115.498 -0.773 . . . . 75.4 109.158 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -62.07 -51.29 68.55 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.942 0.897 . . . . 75.15 109.946 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 35.5 mm-40 -57.8 -45.93 85.37 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 124.182 0.926 . . . . 75.31 110.891 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 59.1 tp -62.4 -49.77 74.18 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 124.076 0.86 . . . . 64.21 111.469 -176.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' A' ' 62' ' ' LEU . 21.5 m-30 -66.86 -41.72 86.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.771 0.428 . . . . 71.22 110.787 -175.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.39 -30.49 71.31 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.384 0.673 . . . . 62.23 111.146 177.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -74.6 -36.34 62.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.347 1.059 . . . . 65.44 110.941 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 91.2 mt -81.93 -21.16 37.44 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.43 0.692 . . . . 74.14 110.772 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -63.73 -25.99 68.45 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.143 0.977 . . . . 75.33 111.545 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -27.52 69.25 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.009 0.524 . . . . 54.34 111.176 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -19.83 13.53 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.164 0.186 . . . . 73.2 110.509 173.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.04 49.68 75.86 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 123.74 0.65 . . . . 71.52 112.212 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 t -74.98 168.85 19.15 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.139 0.976 . . . . 75.01 111.655 -176.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 87' ' ' SER . 6.6 pt-20 -65.15 86.56 0.06 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 124.401 1.08 . . . . 72.43 111.411 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.95 109.64 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.716 0.807 . . . . 74.41 109.053 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 59.9 t -107.12 104.73 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.866 -1.161 . . . . 63.01 107.866 177.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.56 110.07 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 108.203 -1.036 . . . . 72.31 108.203 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 84.4 tt0 -120.17 107.84 13.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.195 0.598 . . . . 71.03 109.73 -176.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 34.8 t -88.5 137.7 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.278 1.031 . . . . 73.23 108.751 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 58.0 m170 -124.65 108.44 12.04 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.713 0.805 . . . . 75.31 108.897 178.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 81' ' ' VAL . 56.0 mt -139.82 110.59 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.152 0.981 . . . . 64.14 109.618 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.1 m120 52.83 34.0 15.49 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 125.373 1.469 . . . . 65.11 112.948 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.99 -21.01 48.28 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 115.796 -0.638 . . . . 72.55 113.455 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.14 117.13 19.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 117.227 0.513 . . . . 72.14 109.779 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.52 134.48 42.33 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.047 0.451 . . . . 73.34 110.005 174.634 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 28.9 t70 -115.65 110.57 19.36 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 107.443 -1.317 . . . . 72.35 107.443 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -117.31 112.46 20.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.189 0.595 . . . . 74.2 110.165 -169.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.2 mt -119.24 107.63 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 108.236 -1.024 . . . . 75.4 108.236 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HG2' HG13 ' A' ' 40' ' ' VAL . 74.3 mtt180 -95.99 106.59 18.77 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.59 0.756 . . . . 63.32 109.236 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.65 152.98 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.751 1.22 . . . . 74.33 108.945 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -117.98 -80.25 0.61 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.513 -0.551 . . . . 74.23 109.513 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -104.59 57.82 0.7 Allowed 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.969 0.89 . . . . 63.21 109.088 -170.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.558 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.2 pp -70.43 -178.16 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 CA-C-N 114.123 -1.398 . . . . 74.33 110.904 173.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 m -102.88 168.2 9.37 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.694 0.798 . . . . 74.54 110.252 -177.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.576 ' H ' ' HD3' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -75.23 -33.61 61.37 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.83 1.048 . . . . 73.22 113.83 -167.802 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.27 -28.53 21.03 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.223 0.535 . . . . 73.5 110.259 171.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -68.55 -30.37 69.15 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.232 -0.895 . . . . 53.12 112.225 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 29' ' ' PHE . 3.8 pp -71.83 -20.43 61.83 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.097 0.475 . . . . 71.42 110.966 175.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 95.0 mttt -72.61 -17.29 61.7 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.022 0.529 . . . . 72.24 110.608 174.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.502 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 13.0 mmmm -67.47 -32.81 73.9 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.024 -0.535 . . . . 70.51 110.141 168.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.89 -38.41 85.57 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.052 0.541 . . . . 73.4 111.002 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.2 pp -83.59 -30.25 27.13 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.803 0.441 . . . . 71.12 111.709 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.594 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -74.52 -19.96 60.16 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.961 -0.462 . . . . 73.43 110.237 175.608 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 4.7 mtp180 -70.93 -17.33 62.69 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.696 0.798 . . . . 71.01 111.442 169.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.48 HD13 HG21 ' A' ' 83' ' ' VAL . 52.8 mt -83.41 -47.46 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.306 0.643 . . . . 53.54 109.791 172.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.594 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 13.0 ptm180 -64.36 -37.05 86.12 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 116.105 -0.498 . . . . 73.53 111.503 -173.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.11 -32.42 70.97 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.551 0.532 . . . . 62.13 109.97 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 40.6 mmtm -74.86 -46.6 35.28 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 123.756 0.66 . . . . 64.23 110.457 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.53 -27.21 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 111.443 0.164 . . . . 75.22 111.443 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -82.34 -43.79 16.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.562 0.745 . . . . 70.35 111.401 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -64.36 -34.0 77.14 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 110.036 -0.357 . . . . 74.3 110.036 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -79.51 -56.66 4.15 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.62 -0.718 . . . . 73.14 110.452 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.16 -4.84 71.25 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.085 -0.961 . . . . 24.33 112.838 -172.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.9 m -87.03 151.11 23.55 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 123.655 0.782 . . . . 65.32 111.229 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -89.4 -11.46 43.12 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.901 -1.045 . . . . 72.31 110.403 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -71.24 93.84 1.13 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 109.561 -0.533 . . . . 70.44 109.561 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.401 ' HA ' HG12 ' A' ' 45' ' ' ILE . 5.0 p -134.67 133.51 54.39 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 C-N-CA 124.05 0.94 . . . . 71.42 109.257 176.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 39.5 tt0 -136.24 107.28 6.72 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.783 0.833 . . . . 73.05 108.774 176.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 69' ' ' ILE . 25.5 t -98.83 110.97 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 108.544 -0.91 . . . . 64.31 108.544 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -101.17 107.35 18.73 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.11 -1.07 . . . . 62.11 108.11 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.8 t -95.38 106.7 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 108.042 -1.096 . . . . 74.01 108.042 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 22.0 m-70 -97.07 111.81 23.87 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 107.15 -1.426 . . . . 64.1 107.15 -177.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 18.6 m -140.5 106.87 5.27 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.297 0.499 . . . . 71.24 111.178 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.75 33.07 86.26 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 124.368 1.043 . . . . 54.5 113.934 174.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.86 -13.72 57.6 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-O 119.596 -0.558 . . . . 61.31 113.489 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -92.24 156.95 16.95 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.217 0.607 . . . . 74.5 110.259 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.2 m -142.44 114.41 8.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.413 0.685 . . . . 74.15 109.872 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -91.81 126.73 37.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.678 0.791 . . . . 71.14 109.324 173.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.2 p -102.99 107.27 18.01 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.367 0.667 . . . . 73.4 110.281 177.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -99.87 108.89 21.27 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.552 0.741 . . . . 74.3 109.934 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 123.784 0.833 . . . . 71.41 109.391 173.633 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.1 tp . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 109.531 -0.544 . . . . 70.51 109.531 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.79 -40.72 93.65 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 124.127 0.892 . . . . 65.15 111.082 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 36.5 tt0 -59.18 -43.55 92.17 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.53 0.519 . . . . 63.32 110.662 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -67.59 -28.49 67.81 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.437 0.695 . . . . 74.22 111.744 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.8 mt -77.97 -34.0 51.2 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.79 -0.819 . . . . 72.14 108.79 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.477 ' HB2' HD11 ' A' ' 66' ' ' LEU . 38.9 ttp180 -65.31 -44.8 86.71 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.987 -1.006 . . . . 74.43 109.355 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 30.4 mm-40 -53.54 -40.99 65.95 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.344 1.028 . . . . 73.11 110.806 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.94 -52.18 64.04 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 114.997 -1.001 . . . . 54.24 110.534 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.41 ' HB2' HD13 ' A' ' 62' ' ' LEU . 22.2 m-85 -65.33 -34.38 78.19 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.994 0.517 . . . . 74.52 111.872 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.94 -34.82 71.85 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.77 0.828 . . . . 71.12 110.32 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.86 -48.27 72.15 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.023 -0.732 . . . . 72.53 109.023 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.23 -25.71 68.18 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.358 1.063 . . . . 72.51 111.831 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -55.52 -26.2 41.59 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.334 1.054 . . . . 73.44 112.664 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.81 -31.61 68.6 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.38 0.672 . . . . 72.12 111.308 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.33 -31.5 8.16 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.93 0.492 . . . . 75.4 110.159 176.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.11 42.12 99.69 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.864 0.727 . . . . 61.44 113.136 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 t -78.37 177.01 8.81 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.293 0.637 . . . . 75.51 110.987 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.22 93.2 0.06 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.36 1.064 . . . . 74.23 112.059 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.439 ' HB ' HG23 ' A' ' 54' ' ' VAL . 47.9 mt -94.47 109.76 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 108.571 -0.9 . . . . 73.11 108.571 177.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' HG2' ' A' ' 53' ' ' ARG . 46.8 t -112.0 103.21 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 108.572 -0.899 . . . . 70.21 108.572 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -94.13 119.6 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 109.16 -0.682 . . . . 74.42 109.16 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.578 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 35.4 mt-10 -112.71 107.41 16.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.673 0.789 . . . . 70.12 110.594 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 21.5 t -93.7 98.45 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 107.852 -1.166 . . . . 61.13 107.852 175.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -89.77 106.58 18.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.012 -0.995 . . . . 64.12 109.331 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.447 HG12 ' HA ' ' A' ' 81' ' ' VAL . 38.4 mt -134.57 124.93 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.823 0.849 . . . . 75.42 109.745 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 57.63 35.59 25.84 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.805 1.242 . . . . 62.11 112.653 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.93 -21.75 35.06 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 115.66 -0.7 . . . . 64.41 113.257 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -82.91 140.96 32.54 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.84 0.856 . . . . 72.14 110.753 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -115.95 124.55 50.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.809 0.843 . . . . 74.21 110.141 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.578 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 27.6 t0 -100.65 111.27 23.48 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 108.235 -1.024 . . . . 73.02 108.235 172.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -105.34 110.82 23.31 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.711 -0.848 . . . . 74.11 108.711 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -114.67 130.09 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 106.83 -1.544 . . . . 65.33 106.83 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' HG2' HG13 ' A' ' 40' ' ' VAL . 45.9 mtp180 -122.5 114.68 21.01 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.997 -0.742 . . . . 74.22 108.997 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.549 HG21 HD11 ' A' ' 65' ' ' LEU . 27.1 m -127.57 152.34 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.796 1.238 . . . . 62.42 108.799 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -123.97 -89.15 0.59 Allowed 'General case' 0 N--CA 1.484 1.274 0 O-C-N 122.152 -0.342 . . . . 71.34 110.841 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -92.99 37.73 1.03 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.649 0.78 . . . . 61.25 110.067 -170.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.579 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pp -63.32 142.53 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.395 1.078 . . . . 72.51 112.941 -174.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 m -78.63 175.03 10.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.605 0.762 . . . . 72.2 109.944 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 58.0 pttt -57.77 -39.62 77.87 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.453 0.701 . . . . 72.34 110.821 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.41 -33.47 73.05 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.157 0.983 . . . . 65.31 111.296 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.1 -31.76 27.11 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.021 0.528 . . . . 62.04 111.334 -174.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.6 pp -76.92 -20.92 55.62 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.906 -0.496 . . . . 52.42 110.125 174.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 57.0 mtpt -64.54 -21.92 66.82 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 119.329 -0.367 . . . . 71.15 110.977 167.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 32.7 mmmt -67.92 -25.26 65.39 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 110.332 -0.247 . . . . 74.42 110.332 175.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.549 HD11 HG21 ' A' ' 54' ' ' VAL . 92.7 mt -69.22 -40.21 78.11 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.401 -0.592 . . . . 74.41 109.401 174.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 26' ' ' ARG . 38.0 mt -65.49 -33.53 76.15 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.24 -0.891 . . . . 62.43 110.543 178.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 32.2 mm-40 -61.38 -56.24 22.53 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 115.779 -0.646 . . . . 71.34 109.612 173.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 21.0 mmt180 -58.0 -43.4 86.61 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.252 -0.431 . . . . 72.34 111.89 -172.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.37 -47.15 93.23 Favored 'Isoleucine or valine' 0 C--O 1.25 1.109 0 O-C-N 123.808 0.693 . . . . 73.5 110.349 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -61.11 -39.79 91.32 Favored 'General case' 0 C--N 1.371 1.531 0 O-C-N 123.353 0.408 . . . . 53.24 110.082 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 45.3 mt-10 -62.04 -31.24 71.63 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.193 0.933 . . . . 61.43 111.198 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 36.1 mmtm -78.34 -50.63 11.42 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 109.96 -0.385 . . . . 74.0 109.96 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.9 -28.47 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 O-C-N 123.318 0.386 . . . . 74.3 111.819 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -86.6 -36.63 18.74 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.114 0.566 . . . . 53.13 111.679 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -72.72 -23.32 60.84 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.02 0.373 . . . . 73.51 110.749 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -96.12 -34.65 11.62 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.075 -0.511 . . . . 74.11 110.875 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.31 20.07 58.16 Favored Glycine 0 C--N 1.349 1.26 0 O-C-N 123.497 0.498 . . . . 43.43 112.911 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -106.56 142.44 36.2 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.07 0.948 . . . . 74.12 110.057 -171.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 m -74.47 -10.04 59.18 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.678 0.791 . . . . 62.32 111.428 175.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -71.38 92.25 1.06 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.314 1.046 . . . . 53.12 109.048 178.482 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.447 ' HA ' HG12 ' A' ' 45' ' ' ILE . 6.0 p -142.6 136.22 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.734 0.413 . . . . 75.52 111.512 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -141.8 105.81 4.76 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.223 -1.028 . . . . 74.11 108.223 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.47 109.83 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.922 -0.769 . . . . 61.44 108.922 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -100.51 104.77 16.16 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.814 -1.18 . . . . 65.13 107.814 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 91' ' ' THR . 91.2 t -93.31 113.7 28.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 108.312 -0.995 . . . . 74.55 108.312 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.446 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 38.6 m-70 -94.86 148.37 22.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.668 -1.234 . . . . 72.34 107.668 174.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -161.3 101.84 1.23 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.227 -0.657 . . . . 63.33 109.227 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.26 38.9 57.73 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 124.222 0.951 . . . . 71.55 115.095 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.37 -29.72 10.63 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.841 0.32 . . . . 63.31 113.284 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -79.69 147.11 32.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.544 0.738 . . . . 74.34 110.309 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 68.3 m -143.74 115.87 8.41 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.295 0.638 . . . . 52.32 110.508 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.8 m-90 -98.06 115.05 27.45 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.492 -0.929 . . . . 63.31 108.492 172.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.3 p -92.75 103.97 16.28 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.235 0.541 . . . . 72.43 109.837 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -89.59 120.72 31.13 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.071 -1.085 . . . . 74.13 108.071 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 123.878 0.871 . . . . 71.04 110.203 -175.43 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.266 -0.272 . . . . 73.54 110.266 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 70' ' ' ARG . 82.1 mt -69.52 -25.54 64.09 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 123.631 0.582 . . . . 60.11 112.126 -178.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 42.5 tt0 -61.76 -36.63 81.58 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 110.305 -0.257 . . . . 74.31 110.305 175.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -62.94 -30.87 71.89 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.572 0.545 . . . . 74.3 109.744 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 22' ' ' LEU . 3.3 mm? -77.51 -43.18 32.97 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 115.655 -0.702 . . . . 61.42 110.127 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.603 ' HB2' HD21 ' A' ' 66' ' ' LEU . 41.5 ttm180 -58.04 -51.75 68.39 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.268 0.627 . . . . 73.24 110.971 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 30.9 mm-40 -60.01 -39.92 87.49 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.338 1.024 . . . . 72.11 110.711 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.7 tp -66.95 -42.95 84.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.204 0.602 . . . . 72.04 110.748 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -68.29 -24.24 64.84 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.866 0.466 . . . . 74.33 110.886 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.82 -32.02 52.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.481 0.712 . . . . 64.32 110.979 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 16.7 mm-40 -62.41 -34.6 77.06 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.497 0.665 . . . . 72.02 109.574 170.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 mt -87.51 -24.21 24.16 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 115.424 -0.807 . . . . 70.4 111.779 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -64.32 -32.22 73.73 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.904 0.881 . . . . 55.25 111.84 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.04 -28.75 70.31 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.044 0.538 . . . . 73.3 111.358 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -112.26 -10.16 13.84 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.213 0.605 . . . . 70.25 110.763 -175.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.08 28.18 72.47 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 123.859 0.725 . . . . 74.43 114.492 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -71.31 162.29 29.68 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.284 0.564 . . . . 62.11 111.687 -172.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.601 ' HB3' ' HE ' ' A' ' 55' ' ' ARG . 7.5 pt-20 -73.63 98.93 2.96 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.193 0.997 . . . . 72.23 111.266 -176.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 57' ' ' ILE . 46.9 mt -92.59 115.4 31.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.835 -0.802 . . . . 73.44 108.835 -176.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 45.2 t -108.03 102.83 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 107.979 -1.119 . . . . 65.51 107.979 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.4 t -93.78 124.78 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.719 -0.845 . . . . 75.31 108.719 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 43.1 tt0 -124.04 107.55 11.41 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.874 0.87 . . . . 74.22 109.086 -173.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 46.8 t -89.55 124.1 42.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.003 0.921 . . . . 63.24 109.276 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 37.9 m-70 -114.73 99.4 7.48 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.257 1.023 . . . . 72.44 108.792 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 25.8 mt -128.34 123.01 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 N-CA-C 109.424 -0.584 . . . . 72.52 109.424 176.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.1 m120 63.61 18.44 11.1 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.007 1.323 . . . . 62.4 112.449 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.19 -5.71 71.75 Favored Glycine 0 C--N 1.351 1.361 0 CA-C-O 120.117 -0.268 . . . . 65.34 113.075 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -85.99 124.34 32.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.259 0.624 . . . . 72.41 110.055 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -91.74 153.54 19.56 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.623 0.769 . . . . 75.34 110.039 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.599 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 37.9 t70 -144.57 111.82 5.99 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.755 0.422 . . . . 72.0 110.234 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.74 123.27 42.86 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.568 0.747 . . . . 43.13 110.38 -174.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 mt -128.33 108.22 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.225 -1.028 . . . . 74.31 108.225 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG2' HG22 ' A' ' 40' ' ' VAL . 23.5 mtm180 -98.63 123.6 42.92 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.795 0.438 . . . . 71.22 110.843 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.411 HG21 HD21 ' A' ' 65' ' ' LEU . 14.7 m -135.34 135.99 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.65 1.18 . . . . 64.31 109.403 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.601 ' HE ' ' HB3' ' A' ' 38' ' ' GLU . 29.3 mtp-105 -131.35 129.46 41.41 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.484 -0.562 . . . . 74.12 109.484 -177.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.5 m120 64.43 19.46 11.81 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.508 1.123 . . . . 72.04 112.706 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.468 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.0 pp -62.46 149.5 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 113.019 0.748 . . . . 74.24 113.019 -175.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.562 ' HB2' ' HG2' ' A' ' 61' ' ' GLU . 14.3 m -74.52 170.83 14.93 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 115.908 -0.587 . . . . 61.51 111.212 -178.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -21.73 61.18 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.08 0.467 . . . . 74.3 111.624 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -87.56 -27.38 22.6 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.254 0.622 . . . . 74.54 110.848 171.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HG2' ' HB2' ' A' ' 58' ' ' SER . 17.0 mm-40 -77.47 -24.35 50.21 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.653 0.381 . . . . 63.23 111.882 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.659 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.4 pp -69.46 -23.73 63.7 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 110.287 -0.264 . . . . 71.42 110.287 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -64.72 -20.72 66.49 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.447 0.699 . . . . 73.23 111.642 173.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -76.67 -20.13 56.99 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.443 0.697 . . . . 71.2 110.194 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 62' ' ' LEU . 3.6 mm? -77.44 -41.65 38.95 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.907 -0.775 . . . . 75.54 108.907 170.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 26' ' ' ARG . 10.8 mp -54.94 -41.88 71.61 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.642 0.777 . . . . 63.43 109.91 170.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 27.9 tt0 -64.65 -50.67 66.17 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 114.319 -1.31 . . . . 73.21 109.794 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -56.43 -26.38 53.45 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.533 0.733 . . . . 71.03 112.901 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.8 mt -84.36 -44.8 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.41 0.684 . . . . 70.51 110.796 175.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.516 ' HB3' HD11 ' A' ' 22' ' ' LEU . 11.1 ptt180 -62.05 -38.55 89.19 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 122.619 0.368 . . . . 63.31 110.356 -174.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 20.5 mm-40 -56.58 -36.71 69.67 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.958 0.786 . . . . 42.24 109.373 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -75.35 -51.07 14.04 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.43 -0.805 . . . . 73.13 109.68 -175.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.1 -21.69 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 117.692 0.224 . . . . 64.31 111.5 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -76.93 -46.33 24.63 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.619 0.768 . . . . 71.41 110.971 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 mtp-105 -67.24 -45.86 75.49 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.369 0.668 . . . . 70.31 111.186 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -78.4 -56.59 4.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.088 0.955 . . . . 72.34 109.087 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.1 29.78 76.24 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.184 -0.916 . . . . 72.21 112.981 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.9 t -102.85 162.8 12.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.087 0.955 . . . . 72.33 110.225 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 m -90.32 -13.61 34.83 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.343 0.657 . . . . 61.2 111.147 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 10.7 tp10 -79.61 73.09 6.31 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.29 -0.633 . . . . 63.12 109.29 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.1 t -125.79 129.72 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.703 0.801 . . . . 55.14 109.531 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 30.4 tt0 -142.49 113.56 7.62 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.2 1.0 . . . . 62.41 109.312 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.0 t -99.46 116.52 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 122.979 0.512 . . . . 52.21 110.276 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 2.9 m-20 -102.36 107.74 18.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.851 0.86 . . . . 62.23 108.824 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.0 t -94.56 115.81 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.959 -0.756 . . . . 73.23 108.959 172.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.589 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 55.0 m-70 -104.08 153.53 20.79 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.808 -1.182 . . . . 64.02 107.808 173.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 61.5 p -158.22 105.23 1.9 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.928 -0.397 . . . . 75.32 109.928 174.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.87 -80.81 0.67 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 111.703 -0.559 . . . . 64.43 111.703 -175.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -140.89 6.71 2.63 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 123.588 0.613 . . . . 63.42 112.16 173.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 38.4 mt-30 -89.42 147.13 24.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.427 1.091 . . . . 54.42 109.773 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.7 m -142.27 126.0 16.99 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.62 0.645 . . . . 74.14 111.412 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -116.91 136.92 52.57 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.922 1.289 . . . . 73.31 107.911 169.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.6 p -127.49 108.75 11.08 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.669 0.387 . . . . 74.43 110.38 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -92.1 137.31 32.47 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.383 -0.969 . . . . 74.55 108.383 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 N--CA 1.478 0.968 0 C-N-CA 122.836 0.454 . . . . 72.11 109.778 177.712 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.419 ' O ' HD23 ' A' ' 25' ' ' LEU . 2.7 pt? . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.382 0.134 . . . . 74.41 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.524 ' HB3' HD13 ' A' ' 66' ' ' LEU . 68.4 mt -78.29 -36.64 46.35 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.17 0.588 . . . . 74.25 111.495 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.64 -39.18 93.7 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.332 0.653 . . . . 64.32 111.138 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -22.41 62.38 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.763 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 21' ' ' LEU . 3.7 mm? -77.71 -34.72 52.61 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.433 -0.58 . . . . 55.1 109.433 172.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -61.26 -40.3 93.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.096 0.958 . . . . 62.44 110.165 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -59.95 -41.68 92.38 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.12 0.887 . . . . 74.41 111.034 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.58 -36.08 75.94 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.711 0.804 . . . . 72.43 110.61 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.575 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 23.1 m-85 -72.0 -36.29 69.7 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.767 0.427 . . . . 75.43 110.79 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -65.38 -40.82 93.99 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.673 0.789 . . . . 72.23 109.858 174.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -54.37 -52.18 62.44 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 114.752 -1.113 . . . . 74.14 110.185 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 30.0 mt -77.76 -23.83 49.14 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.317 -0.856 . . . . 74.3 111.449 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -56.16 -38.67 71.2 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.406 1.082 . . . . 73.34 112.406 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -23.79 66.14 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.798 0.666 . . . . 62.32 112.798 -174.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 4.8 ptm85 -101.71 -22.47 14.41 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 110.238 -0.282 . . . . 63.54 110.238 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.18 31.01 69.16 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.613 0.57 . . . . 72.14 113.452 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -70.63 150.26 46.2 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 109.222 -0.659 . . . . 70.11 109.222 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 10.7 pt-20 -70.66 120.18 15.9 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.475 0.655 . . . . 71.23 111.414 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.7 mt -98.54 111.26 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 114.725 -1.125 . . . . 71.25 108.626 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.51 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 79.1 t -100.76 103.27 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 108.53 -0.915 . . . . 71.45 108.53 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.1 t -94.61 110.74 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 108.627 -0.879 . . . . 74.42 108.627 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 69.7 tt0 -115.32 105.03 12.39 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.975 -0.75 . . . . 75.13 108.975 -173.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -93.63 106.34 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.305 0.642 . . . . 72.45 109.9 -175.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -86.18 121.49 28.85 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.997 0.919 . . . . 63.32 108.836 176.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.435 HG23 ' HG3' ' A' ' 76' ' ' GLU . 10.5 mt -138.51 106.21 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.255 1.022 . . . . 63.33 109.248 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.5 m120 52.19 31.62 9.4 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.823 1.249 . . . . 54.31 112.891 171.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.56 -19.28 19.4 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.838 -0.619 . . . . 54.41 113.448 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -93.74 109.86 21.51 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.449 0.7 . . . . 70.44 110.148 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -89.92 122.66 33.16 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 108.514 -0.921 . . . . 73.32 108.514 173.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 9.2 t70 -108.62 109.11 20.24 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.585 -0.895 . . . . 70.14 108.585 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -100.39 111.84 24.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.055 0.542 . . . . 60.33 109.842 -170.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.3 mt -114.11 106.8 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.382 1.073 . . . . 74.2 108.296 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -107.61 118.78 37.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.218 0.607 . . . . 55.33 109.7 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG21 HD21 ' A' ' 65' ' ' LEU . 23.1 m -121.82 145.41 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 107.763 -1.199 . . . . 72.33 107.763 170.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 5.9 mtp-105 -104.26 -65.6 1.01 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.405 0.622 . . . . 75.53 109.581 177.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -122.59 110.07 15.09 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.557 -1.275 . . . . 64.15 107.557 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.518 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pp -128.63 152.28 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 124.434 1.094 . . . . 72.21 109.593 -176.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.403 ' H ' ' HB2' ' A' ' 61' ' ' GLU . 28.5 m -77.53 -176.14 4.12 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.191 0.597 . . . . 70.21 110.767 177.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.28 -42.4 88.48 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.088 0.555 . . . . 64.12 109.915 173.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.18 -27.35 66.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.094 0.957 . . . . 73.25 110.533 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' A' ' 58' ' ' SER . 29.0 mm-40 -89.72 -27.87 19.78 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 115.803 -0.635 . . . . 74.4 112.645 -177.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.591 ' HA ' HD23 ' A' ' 65' ' ' LEU . 3.8 pp -70.06 -32.12 70.06 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.541 -0.911 . . . . 54.15 108.541 174.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 24.6 mmmt -52.58 -38.88 60.83 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 114.362 -1.29 . . . . 75.24 111.194 169.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 34.0 mmtp -59.19 -33.44 70.95 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.453 0.471 . . . . 51.13 110.857 -177.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -61.58 -48.65 80.01 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.751 0.657 . . . . 75.5 110.616 -177.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD13 ' HB3' ' A' ' 22' ' ' LEU . 3.6 pp -80.57 -20.6 43.02 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.88 -0.6 . . . . 64.24 111.894 -178.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 5.5 mm-40 -75.27 -31.99 60.91 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.846 -0.427 . . . . 72.1 109.846 173.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 12.7 mtp180 -73.04 -36.46 66.93 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 116.309 -0.405 . . . . 61.41 110.633 173.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 66' ' ' LEU . 98.9 mt -58.36 -45.22 89.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 109.456 -0.572 . . . . 52.03 109.456 171.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -54.69 -43.97 72.96 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.698 -1.137 . . . . 64.13 110.573 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HB3' HH21 ' A' ' 75' ' ' ARG . 48.2 mt-10 -54.68 -45.15 73.88 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.237 0.96 . . . . 65.24 110.046 177.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 66.5 mmtt -69.82 -51.27 35.05 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.619 1.2 . . . . 64.04 110.752 -170.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.689 HG22 HG21 ' A' ' 81' ' ' VAL . 2.3 pp -67.01 -30.3 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 115.519 -0.764 . . . . 73.43 111.219 -173.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -79.69 -44.19 21.3 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.977 0.511 . . . . 70.33 111.835 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.499 HH21 ' HB3' ' A' ' 71' ' ' GLU . 19.4 ptp180 -70.12 -26.57 64.02 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.422 0.289 . . . . 73.23 110.964 -176.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HG3' HG23 ' A' ' 45' ' ' ILE . 1.4 tt0 -84.68 -76.58 0.3 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.735 -0.839 . . . . 73.41 108.735 171.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.92 33.34 68.34 Favored Glycine 0 C--N 1.366 2.196 0 O-C-N 123.579 0.549 . . . . 73.12 112.977 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 t -100.63 -68.1 0.83 Allowed 'General case' 0 C--O 1.24 0.56 0 C-N-CA 122.914 0.486 . . . . 62.22 109.99 -173.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.9 t 176.65 -55.93 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.297 0.998 . . . . 73.32 109.955 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -81.16 88.4 6.02 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.027 0.931 . . . . 70.03 111.118 -169.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.689 HG21 HG22 ' A' ' 73' ' ' ILE . 5.2 p -141.63 131.56 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.98 0.912 . . . . 75.23 110.652 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -143.44 126.42 16.33 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.135 0.974 . . . . 72.33 109.516 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.467 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 88.2 t -100.3 114.87 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.346 1.058 . . . . 72.53 109.45 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -103.55 105.84 16.2 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.308 -0.997 . . . . 74.02 108.308 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.6 t -95.27 107.46 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 108.583 -0.895 . . . . 61.42 108.583 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.51 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 35.6 m-70 -100.45 124.33 45.83 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 107.522 -1.288 . . . . 62.22 107.522 -177.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.9 t -157.43 111.69 2.65 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.866 -0.42 . . . . 72.31 109.866 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.88 15.83 67.45 Favored Glycine 0 C--N 1.356 1.687 0 O-C-N 124.1 0.875 . . . . 64.43 113.635 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.32 -14.33 43.49 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-O 119.592 -0.56 . . . . 74.13 113.559 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -91.8 126.32 36.85 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 117.5 0.65 . . . . 74.42 110.07 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 84.8 m -113.72 111.39 21.72 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.392 0.677 . . . . 65.13 110.148 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -94.39 115.51 27.72 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.516 -0.92 . . . . 74.0 108.516 173.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.9 p -99.13 126.65 44.93 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.642 0.777 . . . . 71.05 109.779 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.467 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 89.7 m-85 -122.03 107.44 12.22 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.134 0.974 . . . . 72.01 110.684 -173.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 108.376 -0.972 . . . . 74.33 108.376 171.581 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 120.382 0.134 . . . . 73.32 110.652 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.454 ' HB3' HD13 ' A' ' 66' ' ' LEU . 85.9 mt -65.6 -38.14 88.63 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 123.266 0.626 . . . . 71.43 111.231 175.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 33.1 tt0 -61.98 -33.49 74.41 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.616 0.573 . . . . 71.15 110.354 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -62.31 -42.34 99.29 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.162 0.585 . . . . 63.32 110.156 172.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.97 -30.6 67.99 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.519 -0.764 . . . . 75.14 109.522 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -64.71 -47.92 76.56 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.178 0.991 . . . . 74.44 110.237 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.8 mm-40 -64.96 -36.82 85.62 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.226 0.954 . . . . 75.04 110.307 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 40.6 tp -65.06 -52.59 54.89 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.452 -0.794 . . . . 55.42 110.51 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 21.0 m-85 -62.48 -34.22 76.42 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.543 0.737 . . . . 70.21 111.135 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.87 -38.65 91.69 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.794 0.838 . . . . 73.32 111.29 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 29.2 tt0 -72.52 -24.25 61.12 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.554 0.742 . . . . 45.43 110.499 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 82.2 mt -85.96 -32.11 21.73 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 121.515 0.674 . . . . 64.52 110.2 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -59.07 -38.25 78.98 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.638 1.575 . . . . 64.4 111.691 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 12.6 pt-20 -56.37 -27.55 56.45 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 123.931 0.769 . . . . 53.31 112.263 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -116.35 -8.74 11.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.403 0.681 . . . . 74.14 111.396 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.67 36.9 93.36 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 123.278 0.466 . . . . 74.3 113.819 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 t -68.93 164.37 22.36 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.695 0.798 . . . . 72.41 111.72 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.614 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 8.6 pt-20 -74.96 100.21 4.07 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.778 -0.646 . . . . 71.33 110.647 177.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.9 mt -94.54 110.8 24.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 108.761 -0.829 . . . . 63.34 108.761 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 47.2 t -100.59 104.47 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 107.86 -1.163 . . . . 71.45 107.86 176.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.9 t -91.73 128.11 43.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 108.708 -0.849 . . . . 41.41 108.708 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 88.6 tt0 -138.78 114.4 9.83 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.343 1.057 . . . . 75.44 108.264 -170.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 41.6 t -107.98 141.02 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.004 -0.739 . . . . 62.52 109.004 177.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 88.3 m-70 -129.6 112.29 13.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.467 -1.309 . . . . 73.22 107.467 173.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.546 HG12 ' HA ' ' A' ' 81' ' ' VAL . 56.9 mt -137.52 117.52 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 117.955 0.343 . . . . 64.33 110.089 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 71.0 2.44 4.23 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.307 1.443 . . . . 65.02 113.419 172.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.03 -20.09 9.28 Favored Glycine 0 C--N 1.343 0.951 0 N-CA-C 111.794 -0.522 . . . . 53.41 111.794 -172.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -78.92 137.76 37.78 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.535 0.734 . . . . 74.33 109.196 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -121.24 153.18 37.97 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.402 0.62 . . . . 74.41 110.482 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 25.1 t0 -132.12 137.56 47.74 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.482 1.513 . . . . 64.13 106.98 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -143.19 119.12 10.61 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.736 -0.468 . . . . 74.23 109.736 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.5 mt -136.7 123.45 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 107.219 -1.4 . . . . 73.13 107.219 -176.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG3' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -115.9 119.47 36.05 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.435 -0.95 . . . . 63.01 108.435 179.694 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -122.82 139.5 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.673 0.789 . . . . 73.21 110.025 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.614 ' HG2' ' HB3' ' A' ' 38' ' ' GLU . 64.1 mtt180 -127.51 134.33 49.79 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.23 1.012 . . . . 72.51 108.725 174.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 54.53 67.47 1.01 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.446 1.098 . . . . 74.22 111.233 177.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.617 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -107.57 157.79 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 115.54 -0.755 . . . . 74.53 110.55 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.3 m -104.87 -175.57 2.83 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.498 0.719 . . . . 75.22 110.556 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -66.39 -33.35 75.51 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 114.08 1.141 . . . . 64.1 114.08 -166.649 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -87.05 -29.54 21.84 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 122.248 -0.283 . . . . 72.12 110.697 178.094 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.66 -42.85 85.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.787 -0.642 . . . . 44.21 111.11 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.645 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.6 pp -66.25 -29.16 69.34 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.759 0.424 . . . . 74.33 110.922 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HD2' HD21 ' A' ' 66' ' ' LEU . 10.1 mmmm -59.72 -33.41 71.59 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.193 -0.912 . . . . 64.43 110.962 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -66.21 -25.62 67.01 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.25 0.344 . . . . 73.11 110.638 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.1 mm? -68.3 -51.37 45.58 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.687 0.617 . . . . 62.11 110.483 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.49 HD21 ' HD2' ' A' ' 63' ' ' LYS . 3.8 pp -69.7 -26.01 64.15 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.625 0.25 . . . . 73.14 110.715 177.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 43.7 mt-10 -75.31 -22.67 57.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.37 0.668 . . . . 71.22 111.603 176.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -74.48 -41.25 61.07 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.0 0.52 . . . . 73.53 109.744 170.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.24 -42.48 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.069 0.948 . . . . 74.55 110.687 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 5.7 ppt_? -60.62 -35.88 77.23 Favored 'General case' 0 C--N 1.361 1.096 0 CA-C-N 115.717 -0.674 . . . . 61.44 111.09 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.35 -43.19 99.41 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.329 1.018 . . . . 72.34 109.542 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -64.91 -50.2 67.45 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 123.336 0.397 . . . . 73.33 110.255 -176.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.0 pt -68.55 -31.81 52.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 115.66 -0.7 . . . . 71.02 111.74 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -87.93 -28.21 21.65 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.106 0.78 . . . . 74.03 113.106 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.6 mtp-105 -77.33 -43.21 33.83 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 110.23 -0.285 . . . . 74.41 110.23 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -73.48 -54.32 8.53 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 109.403 -0.591 . . . . 62.51 109.403 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.52 25.73 61.18 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 124.212 0.945 . . . . 73.53 114.301 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.7 t -101.45 175.72 5.48 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.616 0.766 . . . . 35.32 110.301 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.8 m -73.7 -26.95 60.96 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.611 0.764 . . . . 72.12 112.082 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 4.8 mp0 -79.93 58.49 2.91 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.156 0.983 . . . . 72.31 112.632 -172.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.546 ' HA ' HG12 ' A' ' 45' ' ' ILE . 95.1 t -99.77 129.53 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.843 -0.536 . . . . 71.04 111.2 -175.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 35.4 tt0 -140.32 126.6 19.91 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.475 -0.935 . . . . 71.44 108.475 174.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 59.2 t -115.39 143.42 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 107.801 -1.185 . . . . 52.33 107.801 173.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.506 HD21 HG22 ' A' ' 93' ' ' THR . 5.8 t-20 -143.82 113.87 7.3 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.777 -0.453 . . . . 72.13 109.777 -173.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.6 t -111.81 110.86 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.437 -0.579 . . . . 62.12 109.437 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.535 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 30.3 m-70 -94.49 150.24 20.45 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.676 -1.231 . . . . 74.41 107.676 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 37.7 p -160.46 104.12 1.42 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 122.598 0.359 . . . . 73.1 110.056 173.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 65.7 -85.9 0.09 OUTLIER Glycine 0 C--N 1.345 1.083 0 O-C-N 123.564 0.54 . . . . 72.21 112.294 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.29 4.44 5.23 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-O 119.602 -0.555 . . . . 74.14 113.637 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -114.78 123.95 50.53 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 117.865 0.833 . . . . 64.54 110.277 177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.3 m -122.39 134.45 54.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.911 0.885 . . . . 74.43 109.312 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.5 m-90 -111.43 116.55 31.11 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.137 0.975 . . . . 75.01 108.947 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.506 HG22 HD21 ' A' ' 84' ' ' ASN . 40.2 p -93.32 103.18 15.44 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.778 0.831 . . . . 73.3 109.263 176.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.414 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 77.5 m-85 -91.35 108.61 20.01 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.27 -1.011 . . . . 74.22 108.27 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.1 m120 . . . . . 0 C--O 1.241 0.629 0 C-N-CA 123.443 0.697 . . . . 65.41 109.754 179.857 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 108.245 -1.02 . . . . 71.54 108.245 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.55 -179.55 53.39 Favored Glycine 0 C--N 1.352 1.423 0 CA-C-N 115.64 -0.709 . . . . 72.13 113.222 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -169.65 116.05 0.57 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.237 1.015 . . . . 72.11 108.758 176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -67.83 122.32 17.88 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.077 -0.712 . . . . 74.31 109.077 174.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -71.44 169.2 15.87 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.367 1.067 . . . . 54.32 110.562 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -57.04 125.73 23.97 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 123.553 0.533 . . . . 73.13 111.363 -171.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -78.67 149.92 32.72 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.179 -0.464 . . . . 63.0 110.195 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -120.27 114.93 22.61 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.906 0.882 . . . . 74.33 108.736 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.1 155.99 18.87 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.491 -0.929 . . . . 71.34 108.491 172.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -109.66 115.91 30.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.362 0.665 . . . . 75.04 110.322 -175.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.65 97.03 4.97 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 107.451 -1.314 . . . . 73.14 107.451 166.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -58.35 -32.27 68.38 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.319 1.048 . . . . 63.12 112.74 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -127.08 168.87 14.03 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.766 0.793 . . . . 74.53 111.606 -173.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -125.41 172.38 9.69 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.403 1.481 . . . . 73.31 107.206 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.3 m -79.76 52.22 1.42 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.276 1.031 . . . . 75.54 112.897 -172.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.55 ' HA ' ' HB3' ' A' ' 19' ' ' ASP . 36.0 t-80 -72.88 84.02 1.22 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.518 0.727 . . . . 71.23 111.57 -172.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.7 tpt -169.33 -53.02 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 106.689 -1.597 . . . . 73.22 106.689 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.49 HG21 HD11 ' A' ' 73' ' ' ILE . 94.5 m -84.25 -35.71 23.21 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 114.679 -1.146 . . . . 45.22 109.313 167.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.55 ' HB3' ' HA ' ' A' ' 16' ' ' HIS . 23.3 t70 -58.79 93.04 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-N 114.854 -1.066 . . . . 72.44 111.086 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -145.85 -64.63 0.31 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 106.41 -1.7 . . . . 72.14 106.41 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.5 pt? -73.51 -23.78 60.07 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.615 -1.175 . . . . 73.32 110.202 168.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 85.8 mt -69.02 -42.76 75.96 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.313 0.645 . . . . 71.41 111.274 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.65 -37.73 85.12 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 110.105 -0.332 . . . . 71.41 110.105 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mmm-85 -60.04 -30.2 69.03 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.669 0.787 . . . . 74.43 111.247 174.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 83.6 mt -77.41 -35.05 54.54 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 109.615 -0.513 . . . . 64.24 109.615 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HB2' HD22 ' A' ' 66' ' ' LEU . 25.3 ttt180 -70.23 -24.05 63.02 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 122.487 0.315 . . . . 75.24 110.984 178.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -62.31 -42.35 99.3 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.337 -0.616 . . . . 73.53 109.337 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -72.3 -38.75 68.66 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 123.962 0.788 . . . . 74.42 110.799 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -64.66 -47.04 79.9 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 122.849 0.46 . . . . 72.33 111.025 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -68.97 -30.57 69.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.572 1.149 . . . . 74.12 111.588 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.72 -53.22 35.66 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.174 0.59 . . . . 72.2 109.884 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.38 -19.99 64.66 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.184 0.994 . . . . 74.31 111.614 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.0 -17.76 58.22 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.258 1.023 . . . . 73.4 111.285 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.06 -39.67 72.4 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 123.563 0.745 . . . . 71.13 110.945 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -30.73 12.41 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 109.377 -0.601 . . . . 71.45 109.377 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.66 38.02 93.17 Favored Glycine 0 C--N 1.358 1.784 0 O-C-N 123.95 0.781 . . . . 62.15 112.976 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 t -77.49 -169.92 1.61 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.337 0.655 . . . . 54.35 110.888 -174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.24 88.6 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.857 0.863 . . . . 75.15 110.688 171.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 71.9 mt -94.43 108.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 107.443 -1.317 . . . . 73.14 107.443 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 60.4 t -104.53 107.35 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 109.13 -0.692 . . . . 73.44 109.13 -176.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.527 HG21 HD13 ' A' ' 65' ' ' LEU . 48.9 t -92.48 110.19 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 108.709 -0.849 . . . . 54.34 108.709 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 84' ' ' ASN . 9.8 tp10 -116.57 126.43 53.28 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.643 1.177 . . . . 74.33 108.87 -172.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 78.1 t -124.19 101.53 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.605 0.762 . . . . 71.03 109.007 -174.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 84.4 m-70 -96.41 110.98 23.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.027 0.931 . . . . 72.44 109.151 175.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mt -125.87 114.64 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 122.6 0.36 . . . . 60.13 110.061 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 71.68 -72.05 0.12 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 126.029 1.732 . . . . 70.34 111.5 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.16 11.06 0.26 Allowed Glycine 0 N--CA 1.471 1.015 0 CA-C-N 115.281 -0.872 . . . . 75.04 112.46 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -110.57 139.04 46.19 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 107.744 -1.206 . . . . 62.14 107.744 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 12.1 ptt180 -127.1 151.28 48.84 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.724 -0.472 . . . . 70.41 109.724 174.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.83 114.05 11.48 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.675 -0.861 . . . . 61.02 108.675 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -109.77 119.82 40.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.226 1.01 . . . . 74.45 109.254 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.4 mt -119.09 107.56 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 108.587 -0.894 . . . . 72.54 108.587 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.69 106.16 18.15 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 108.451 -0.944 . . . . 75.33 108.451 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.446 HG21 HD11 ' A' ' 65' ' ' LEU . 16.9 m -113.51 117.8 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.29 0.636 . . . . 74.12 109.489 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -121.73 110.7 16.26 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.412 -0.959 . . . . 70.34 108.412 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 63.4 73.76 0.44 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.726 1.21 . . . . 51.42 110.421 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -115.84 172.25 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.17 -0.923 . . . . 64.13 111.212 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.516 ' HB2' ' HG2' ' A' ' 61' ' ' GLU . 23.0 m -96.72 170.25 9.32 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.755 0.822 . . . . 74.1 110.659 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -27.75 66.76 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.684 0.794 . . . . 72.02 111.4 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -79.03 -19.85 50.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.337 1.055 . . . . 64.5 110.994 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' A' ' 58' ' ' SER . 27.0 mm-40 -81.37 -47.55 13.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.649 0.38 . . . . 73.43 109.98 176.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.77 -19.75 61.3 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.268 0.84 . . . . 72.5 113.268 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -63.78 -29.14 70.38 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.95 0.405 . . . . 73.41 110.016 172.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 14.8 mmmm -66.84 -26.5 66.95 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 123.23 0.612 . . . . 63.21 111.182 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD13 HG21 ' A' ' 41' ' ' VAL . 84.0 mt -61.75 -54.82 37.25 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.9 0.48 . . . . 61.35 110.556 -176.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 26' ' ' ARG . 1.9 pp -69.75 -30.55 68.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.57 0.748 . . . . 63.24 111.149 177.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.78 -14.13 61.9 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.099 0.96 . . . . 70.33 110.974 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 40.1 mtp180 -87.79 -35.16 18.01 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 121.871 -0.518 . . . . 74.43 110.773 165.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 65' ' ' LEU . 81.8 mt -63.51 -36.63 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.314 0.646 . . . . 71.32 110.861 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 34.3 ptt180 -54.81 -41.39 70.57 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 123.659 0.599 . . . . 72.15 109.801 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 45.6 mt-10 -66.7 -30.81 71.14 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.078 0.951 . . . . 71.15 109.812 -175.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -75.12 -43.4 52.89 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 115.552 -0.749 . . . . 53.3 109.168 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.49 HD11 HG21 ' A' ' 18' ' ' THR . 2.5 pp -77.75 -19.07 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 CA-C-N 116.281 -0.418 . . . . 75.52 111.463 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 63.3 mm-40 -72.65 -51.95 17.36 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.743 0.417 . . . . 71.42 110.136 173.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.462 ' HG3' ' HG2' ' A' ' 76' ' ' GLU . 14.5 ptm180 -69.56 -35.91 75.84 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.97 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.462 ' HG2' ' HG3' ' A' ' 75' ' ' ARG . 48.1 mm-40 -94.77 -59.24 1.96 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.75 0.42 . . . . 74.35 110.593 -177.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.04 25.37 67.97 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-N 116.095 -0.502 . . . . 71.52 113.701 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.4 m -98.76 152.29 19.85 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.545 0.738 . . . . 54.43 111.176 -172.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.5 t -67.94 -26.59 66.03 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.098 0.959 . . . . 74.51 110.947 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.44 77.08 2.49 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.01 -0.737 . . . . 75.3 109.01 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 p -135.41 134.24 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.598 0.759 . . . . 62.12 109.663 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 28.0 tt0 -138.47 112.37 8.44 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.537 1.135 . . . . 75.3 108.02 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.3 t -99.59 130.36 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 107.114 -1.439 . . . . 71.52 107.114 170.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.47 ' HB3' ' HB3' ' A' ' 42' ' ' GLU . 49.4 t-20 -138.45 105.5 5.44 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.309 -0.997 . . . . 61.03 108.309 -161.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.64 123.42 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 N-CA-C 108.91 -0.774 . . . . 71.42 108.91 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 65.7 m-70 -109.98 146.99 34.32 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.964 -1.125 . . . . 71.14 107.964 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.3 p -157.61 103.6 1.93 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 109.126 -0.694 . . . . 73.35 109.126 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 59.28 33.39 75.33 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.266 -0.424 . . . . 72.31 113.151 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.35 -17.98 56.06 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-O 119.944 -0.365 . . . . 52.54 113.21 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 89.5 mt-30 -80.91 122.53 27.35 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.004 0.521 . . . . 73.42 110.405 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.2 m -116.69 139.26 50.75 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.673 0.789 . . . . 70.33 110.998 -171.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -135.6 124.14 23.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.788 1.235 . . . . 71.11 108.667 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 p -109.54 111.76 23.46 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.041 0.537 . . . . 73.31 111.077 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -96.03 109.13 21.59 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.941 1.296 . . . . 60.12 109.081 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -116.69 139.79 50.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.002 0.921 . . . . 62.2 109.268 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -74.17 105.31 5.31 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 109.609 -0.515 . . . . 73.05 109.609 174.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.3 pttm . . . . . 0 CA--C 1.558 1.28 0 CA-C-N 114.479 -1.237 . . . . 74.41 111.753 -178.187 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.655 0.264 . . . . 74.22 110.398 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.53 168.9 12.87 Favored Glycine 0 C--N 1.341 0.841 0 CA-C-N 116.09 -0.505 . . . . 74.01 112.246 176.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -159.13 141.7 14.07 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.107 0.563 . . . . 64.34 110.513 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -135.13 173.36 11.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.298 1.039 . . . . 75.11 109.296 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -165.68 112.63 0.93 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 107.528 -1.286 . . . . 74.4 107.528 175.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -119.87 137.12 54.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.542 0.737 . . . . 73.13 109.035 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -65.25 146.14 55.33 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.443 0.465 . . . . 75.41 110.598 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -152.0 58.84 0.85 Allowed 'General case' 0 C--O 1.241 0.614 0 N-CA-C 107.646 -1.242 . . . . 74.43 107.646 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.13 148.51 17.83 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 113.52 -1.673 . . . . 74.12 113.372 -171.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -115.12 89.7 3.16 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 107.781 -1.192 . . . . 61.41 107.781 170.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 pp -72.88 164.36 26.75 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.814 -1.085 . . . . 64.23 110.815 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -103.55 110.56 22.66 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.353 -0.98 . . . . 74.42 108.353 171.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -70.05 -48.86 56.13 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.591 -0.732 . . . . 72.12 109.076 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -120.25 108.73 14.55 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.235 1.014 . . . . 72.31 108.842 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.521 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 36.4 m -70.93 124.38 24.21 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.637 0.775 . . . . 62.51 110.649 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -145.45 -27.26 0.46 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.569 0.747 . . . . 75.45 110.006 -175.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.5 mtt -91.95 55.41 2.64 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.227 1.011 . . . . 74.15 109.831 -175.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.432 HG21 HD11 ' A' ' 73' ' ' ILE . 13.1 t 44.61 27.67 0.26 Allowed 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 126.192 1.797 . . . . 63.33 113.702 -172.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.521 ' HB2' ' HB3' ' A' ' 15' ' ' SER . 20.4 m-20 -64.18 -13.78 50.86 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.249 1.019 . . . . 63.33 111.616 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HG3' HH21 ' A' ' 24' ' ' ARG . 12.7 tp10 -58.6 -49.89 75.84 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.828 0.851 . . . . 74.13 111.011 176.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.02 -52.07 27.14 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.246 0.618 . . . . 72.05 110.524 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 66' ' ' LEU . 57.3 mt -63.47 -45.19 91.93 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.687 -1.142 . . . . 62.25 112.687 -164.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -72.37 -17.55 61.81 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.857 -0.61 . . . . 73.3 111.18 -172.29 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.443 HH21 ' HG3' ' A' ' 20' ' ' GLU . 80.6 mtt-85 -61.98 -40.61 96.22 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.602 0.715 . . . . 61.31 109.53 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.59 -30.03 65.36 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.588 -1.187 . . . . 44.53 109.476 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -59.32 -45.7 90.59 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.23 0.331 . . . . 70.03 110.2 172.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 11.6 mm100 -60.19 -30.84 69.62 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.759 0.662 . . . . 70.13 110.799 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.2 tp -72.49 -43.53 63.5 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.874 -0.603 . . . . 70.23 110.494 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.536 ' HB2' HD13 ' A' ' 62' ' ' LEU . 16.6 m-30 -68.47 -22.46 64.56 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.918 0.487 . . . . 71.11 110.573 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -80.3 -36.79 33.84 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.274 1.029 . . . . 73.13 109.33 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -61.93 -32.91 73.36 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.294 0.637 . . . . 73.45 109.991 171.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HA ' ' HD3' ' A' ' 35' ' ' ARG . 77.9 mt -87.68 -22.9 24.39 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.022 0.929 . . . . 71.5 111.852 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -53.63 -38.06 63.7 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.387 1.075 . . . . 61.43 112.551 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.87 -36.35 76.72 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.449 -0.796 . . . . 75.25 112.766 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.03 -26.47 16.77 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.665 -0.495 . . . . 72.13 109.665 178.462 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.62 24.35 64.03 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.981 0.801 . . . . 71.35 114.052 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.0 t -76.63 -177.74 4.39 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.983 0.513 . . . . 74.23 110.999 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.78 100.74 0.06 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.189 0.996 . . . . 72.31 112.219 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.456 HD12 HD11 ' A' ' 57' ' ' ILE . 59.0 mt -95.91 113.47 30.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 N-CA-C 107.874 -1.158 . . . . 64.31 107.874 172.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.488 HG22 ' HG2' ' A' ' 53' ' ' ARG . 21.4 t -107.32 105.48 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.823 -0.806 . . . . 75.41 108.823 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 65' ' ' LEU . 72.4 t -92.58 110.93 23.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.172 -1.047 . . . . 63.44 108.172 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 41.2 tt0 -118.38 108.84 15.55 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.82 0.448 . . . . 71.54 110.455 -174.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.488 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 38.8 t -96.7 102.08 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.011 0.925 . . . . 75.01 109.626 -174.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 28.3 m-70 -90.45 106.19 18.33 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 109.003 -0.74 . . . . 60.31 109.003 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 43.8 mt -127.9 119.06 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 122.91 0.484 . . . . 53.2 110.387 175.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 58.96 31.17 21.1 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.799 1.24 . . . . 64.42 112.004 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.33 -20.97 44.85 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.462 -0.79 . . . . 34.15 113.416 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.35 118.39 24.86 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.147 0.579 . . . . 73.24 110.707 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -94.59 113.04 24.8 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.582 0.706 . . . . 61.45 109.684 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 8.9 t70 -85.36 136.4 33.48 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 107.362 -1.347 . . . . 63.54 107.362 172.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -129.43 114.12 15.76 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.166 0.439 . . . . 73.43 110.215 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.417 HD13 ' HD2' ' A' ' 68' ' ' ARG . 9.6 mt -122.36 131.63 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 107.927 -1.138 . . . . 74.53 107.927 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.488 ' HG2' HG22 ' A' ' 40' ' ' VAL . 54.9 mtt180 -125.95 130.19 50.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.651 0.78 . . . . 71.31 109.371 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 65' ' ' LEU . 9.7 p -140.84 141.52 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 122.815 0.446 . . . . 73.35 111.046 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.11 139.04 53.7 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.299 1.039 . . . . 73.44 108.817 175.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 56.15 83.65 0.09 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.939 1.296 . . . . 75.35 111.777 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.616 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.1 pp -146.11 151.69 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 115.402 -0.817 . . . . 70.33 110.681 -175.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 m -97.52 178.6 5.13 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.299 1.039 . . . . 62.22 109.868 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -53.1 -49.12 67.12 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.585 1.154 . . . . 63.0 113.889 -169.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -29.82 63.04 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 118.192 0.451 . . . . 72.14 111.509 -175.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.29 -49.83 52.36 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.427 -0.806 . . . . 74.14 110.796 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.616 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.3 pp -71.52 -21.11 61.96 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.396 0.278 . . . . 72.3 110.861 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 21.9 mtpp -64.66 -27.99 69.31 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 119.527 -0.273 . . . . 72.24 111.065 171.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.47 -27.36 68.51 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 117.816 0.28 . . . . 54.21 111.004 175.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.557 ' HB3' HG21 ' A' ' 41' ' ' VAL . 57.3 mt -64.67 -47.65 77.65 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.291 0.636 . . . . 61.53 110.439 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 3.8 pp -81.34 -22.62 38.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.333 -0.848 . . . . 73.41 111.705 -177.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HG2' ' NH2' ' A' ' 70' ' ' ARG . 53.4 mt-10 -77.19 -22.28 52.66 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.124 0.57 . . . . 71.15 110.281 173.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 51.2 mtt180 -70.67 -43.89 68.18 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 122.93 0.492 . . . . 74.41 109.804 167.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.73 -40.14 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.452 0.701 . . . . 75.43 110.032 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' NH2' ' HG2' ' A' ' 67' ' ' GLU . 37.8 ttm180 -51.34 -49.85 60.61 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.322 1.049 . . . . 54.44 111.577 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.33 -38.96 85.39 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 115.173 -0.921 . . . . 75.43 110.53 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 30.0 mmtp -69.62 -49.56 52.7 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 109.988 -0.375 . . . . 72.31 109.988 -173.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.432 HD11 HG21 ' A' ' 18' ' ' THR . 33.0 pt -75.47 -35.53 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 123.563 0.745 . . . . 73.52 112.29 -170.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -83.36 -44.62 14.65 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.752 0.421 . . . . 61.11 111.076 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -77.06 -18.79 57.82 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.601 0.36 . . . . 72.25 111.419 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.14 -44.64 21.57 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.441 -0.578 . . . . 75.23 109.441 165.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.54 -46.66 3.36 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.647 -0.706 . . . . 74.01 111.895 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.3 t -56.19 126.2 25.1 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.281 1.033 . . . . 75.13 110.54 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.2 p -84.35 11.75 7.9 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.56 0.744 . . . . 62.3 111.284 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 6.9 tp10 -73.56 78.29 1.47 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.839 -0.8 . . . . 63.11 108.839 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.9 118.99 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 121.809 0.814 . . . . 61.24 111.023 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 34.0 tt0 -115.87 111.53 20.59 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.687 1.595 . . . . 74.31 106.979 174.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.2 t -98.95 114.28 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 109.206 -0.664 . . . . 63.14 109.206 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -99.52 108.63 21.11 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.33 -0.989 . . . . 74.32 108.33 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -94.61 107.71 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 108.012 -1.107 . . . . 75.51 108.012 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 15.8 m-70 -102.03 116.19 32.16 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.751 -1.203 . . . . 75.22 107.751 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 t -143.36 112.06 6.46 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.184 -0.673 . . . . 52.11 109.184 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.01 23.83 74.46 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 124.013 0.821 . . . . 62.24 112.674 -172.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.76 -10.99 73.34 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 123.201 0.429 . . . . 73.23 113.6 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -85.32 121.98 28.84 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.147 0.579 . . . . 50.01 109.993 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 83.7 m -109.2 126.75 53.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.113 0.965 . . . . 73.34 110.05 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -117.74 116.43 27.01 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.628 -0.879 . . . . 73.41 108.628 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.6 p -99.59 106.02 17.94 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.914 0.885 . . . . 72.44 111.794 -172.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -91.99 115.57 28.18 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.141 0.976 . . . . 73.04 109.489 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -127.03 114.12 17.37 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.491 0.716 . . . . 73.5 110.341 -175.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -96.18 102.78 14.62 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.248 -1.019 . . . . 63.4 108.248 165.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.351 0 N-CA-C 108.318 -0.993 . . . . 63.33 108.318 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 109.236 -0.653 . . . . 74.5 109.236 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.32 51.16 0.87 Allowed Glycine 0 C--N 1.35 1.338 0 O-C-N 123.199 0.312 . . . . 55.14 112.815 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -68.56 114.41 6.94 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.937 -0.764 . . . . 51.32 108.937 172.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -59.07 88.28 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.518 1.127 . . . . 62.55 112.047 -174.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -133.36 107.21 7.95 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.488 -0.93 . . . . 71.24 108.488 175.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -130.01 85.31 2.28 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.99 -0.744 . . . . 53.2 108.99 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -102.57 153.11 20.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.075 -0.966 . . . . 71.24 110.01 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -166.5 155.46 10.92 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.563 0.745 . . . . 53.52 109.311 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 153.7 34.16 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.197 0.599 . . . . 64.44 111.444 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -128.45 128.81 45.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.061 0.544 . . . . 71.41 110.408 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -87.98 96.45 10.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.555 -0.906 . . . . 63.34 108.555 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -81.89 97.19 7.92 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.681 -0.859 . . . . 55.5 108.681 174.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -67.84 136.59 54.34 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.817 -0.629 . . . . 53.53 109.961 -176.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.15 -60.15 3.91 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.568 1.147 . . . . 75.42 110.339 -174.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.6 p -83.07 109.34 17.05 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.3 0.571 . . . . 73.55 109.964 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -86.82 139.58 30.54 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.421 -0.809 . . . . 74.23 110.651 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.9 ptm -136.78 83.22 1.99 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.232 1.013 . . . . 70.35 109.786 -175.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.2 m 70.98 -5.05 1.59 Allowed 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 124.976 1.31 . . . . 42.54 112.873 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.62 ' HA ' ' HB2' ' A' ' 22' ' ' LEU . 6.1 p-10 -77.26 1.44 18.62 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.384 0.673 . . . . 74.1 112.409 -172.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.54 -52.03 24.54 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.408 0.683 . . . . 71.22 109.434 174.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.86 -39.6 87.62 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 115.012 -0.995 . . . . 65.2 110.327 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.62 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 75.2 mt -70.9 -28.98 64.93 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.624 -1.171 . . . . 74.24 111.384 -176.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 24.0 tp10 -62.54 -30.56 71.39 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.079 0.466 . . . . 74.11 110.668 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -63.69 -41.85 98.09 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.331 -0.85 . . . . 73.04 109.359 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.0 mt -73.73 -33.13 64.21 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.715 -1.13 . . . . 70.15 109.097 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.611 ' HB2' HD11 ' A' ' 66' ' ' LEU . 33.9 ttt180 -64.39 -48.71 74.4 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.052 0.941 . . . . 74.12 111.8 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.21 -32.5 71.17 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 123.441 0.463 . . . . 74.42 111.569 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.9 tp -67.34 -48.81 66.41 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.832 -0.622 . . . . 74.35 109.593 170.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' A' ' 33' ' ' HIS . 21.2 m-30 -57.8 -30.99 66.15 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.079 0.552 . . . . 65.24 111.561 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 33' ' ' HIS . 78.6 mm-40 -73.26 -43.31 61.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.102 0.561 . . . . 73.34 109.907 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.53 -30.61 68.72 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.089 0.956 . . . . 74.42 111.152 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 51.1 mt -84.97 -45.76 11.87 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.359 -0.837 . . . . 73.45 110.508 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -66.27 -27.48 67.97 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.209 0.603 . . . . 73.04 111.329 -173.553 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.3 -26.43 62.85 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.772 -0.649 . . . . 74.22 111.247 -176.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.7 ptm180 -100.82 -15.13 17.72 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.755 0.422 . . . . 74.23 110.571 177.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.26 29.54 40.49 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.608 0.567 . . . . 73.43 113.597 172.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -84.85 156.24 21.39 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 109.358 -0.608 . . . . 54.42 109.358 171.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.82 143.93 45.74 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.788 0.435 . . . . 74.33 110.665 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.53 HD12 HD11 ' A' ' 57' ' ' ILE . 47.5 mt -117.0 109.01 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 109.086 -0.709 . . . . 74.41 109.086 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 62.5 t -97.69 106.07 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 108.361 -0.978 . . . . 73.12 108.361 173.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.411 HG11 HD11 ' A' ' 69' ' ' ILE . 48.4 t -94.06 137.85 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.3 -1.0 . . . . 74.13 108.3 177.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 78.6 tt0 -139.08 108.13 6.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 117.84 0.291 . . . . 73.01 111.035 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.535 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 58.8 t -90.73 103.82 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 124.374 1.07 . . . . 64.44 110.188 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -89.11 111.86 22.72 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.783 0.833 . . . . 62.11 109.843 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.533 HG21 ' HG3' ' A' ' 76' ' ' GLU . 45.0 mt -120.02 107.82 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 109.172 -0.677 . . . . 60.11 109.172 173.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 m120 63.86 -71.93 0.06 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.506 1.523 . . . . 75.42 111.299 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.82 -7.43 0.36 Allowed Glycine 0 N--CA 1.471 0.985 0 CA-C-N 115.901 -0.59 . . . . 64.35 113.1 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.8 143.16 31.97 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.439 0.696 . . . . 75.11 109.918 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -127.5 117.02 21.31 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.366 0.667 . . . . 73.31 109.243 173.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.535 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 19.3 t70 -97.78 110.65 23.18 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.105 -1.072 . . . . 61.13 108.105 175.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -117.13 115.26 25.0 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.747 -0.464 . . . . 72.1 109.747 -174.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.7 mt -121.89 122.92 68.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 124.448 1.099 . . . . 70.25 108.581 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.539 ' HG2' HG13 ' A' ' 40' ' ' VAL . 58.4 mtt180 -113.0 118.36 34.59 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.367 0.667 . . . . 65.14 109.5 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 65' ' ' LEU . 24.3 m -114.03 150.24 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.851 0.86 . . . . 71.0 110.23 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -134.9 116.7 15.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.795 0.838 . . . . 64.31 109.884 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 58.79 82.85 0.13 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.561 1.144 . . . . 75.22 111.157 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.573 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -123.16 162.98 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.922 0.889 . . . . 74.21 110.913 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m -102.35 -176.08 3.01 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.763 0.825 . . . . 72.12 111.226 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -60.88 -39.26 88.56 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 113.726 1.01 . . . . 74.35 113.726 -171.171 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -28.81 24.9 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.233 0.469 . . . . 54.55 110.004 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -61.24 -43.11 99.41 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.553 0.741 . . . . 52.23 111.674 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.4 pp -74.41 -23.74 59.0 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.555 -0.293 . . . . 61.42 110.284 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 79.0 mttt -68.31 -20.37 64.74 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 122.229 -0.294 . . . . 72.25 110.817 170.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 13.6 mmmm -70.76 -29.9 66.25 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.851 -0.796 . . . . 63.41 108.851 173.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 93.5 mt -65.95 -44.67 84.34 Favored 'General case' 0 C--N 1.368 1.375 0 N-CA-C 109.067 -0.716 . . . . 75.41 109.067 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.611 HD11 ' HB2' ' A' ' 26' ' ' ARG . 84.9 mt -58.13 -39.06 77.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.893 -1.049 . . . . 74.23 111.082 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 49.2 mt-10 -71.16 -33.76 70.32 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.761 -0.654 . . . . 74.4 111.059 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 5.6 mmp_? -67.03 -37.69 84.57 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.621 0.191 . . . . 74.05 110.888 175.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.411 HD11 HG11 ' A' ' 41' ' ' VAL . 74.4 mt -68.18 -45.5 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.687 0.795 . . . . 75.13 109.854 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.512 ' HB3' HD11 ' A' ' 22' ' ' LEU . 20.7 ptt180 -62.89 -35.43 80.0 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 116.191 -0.458 . . . . 74.43 110.036 -174.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 49.2 mm-40 -55.1 -44.58 75.05 Favored 'General case' 0 C--N 1.367 1.345 0 O-C-N 123.637 0.585 . . . . 71.11 109.607 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -69.51 -53.66 17.99 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 124.294 0.996 . . . . 73.34 110.223 -172.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.629 HG22 HG21 ' A' ' 81' ' ' VAL . 23.0 pt -67.12 -25.73 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 CA-C-N 115.654 -0.703 . . . . 75.42 111.871 -173.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -88.05 -43.22 11.87 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.642 0.608 . . . . 75.01 112.642 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 15.0 ptm180 -62.79 -39.36 93.98 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.311 0.244 . . . . 74.13 110.352 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.533 ' HG3' HG21 ' A' ' 45' ' ' ILE . 13.4 mm-40 -82.35 -57.13 3.5 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 109.615 -0.513 . . . . 75.21 109.615 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.66 10.41 84.79 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-N 115.669 -0.696 . . . . 61.33 113.274 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 p -86.45 142.62 28.27 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 123.802 0.841 . . . . 71.13 111.389 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.0 m -85.1 60.91 6.54 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.958 0.885 . . . . 60.12 109.744 170.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -148.58 29.56 0.84 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.247 -1.342 . . . . 74.33 107.87 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.629 HG21 HG22 ' A' ' 73' ' ' ILE . 2.6 p -105.21 112.74 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.965 0.888 . . . . 72.33 110.266 175.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -107.3 121.62 44.92 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.398 1.479 . . . . 73.35 107.936 170.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 59.2 t -96.29 145.05 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 106.946 -1.502 . . . . 73.4 106.946 176.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -129.23 109.94 11.55 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.506 -1.294 . . . . 63.12 107.506 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.5 t -91.99 130.13 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.655 -0.869 . . . . 51.51 108.655 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.607 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 11.0 m-70 -123.76 127.57 48.31 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 106.422 -1.696 . . . . 73.34 106.422 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -158.42 124.93 4.73 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.425 0.557 . . . . 73.43 110.981 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.45 28.57 71.38 Favored Glycine 0 C--N 1.354 1.549 0 O-C-N 124.036 0.835 . . . . 44.43 114.421 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.25 -20.62 49.77 Favored Glycine 0 C--N 1.346 1.091 0 CA-C-O 119.852 -0.415 . . . . 71.15 113.267 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.45 153.75 25.5 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.069 0.547 . . . . 75.33 111.138 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.7 m -141.97 132.83 25.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.423 1.089 . . . . 74.23 108.942 172.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -118.45 147.19 43.85 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.567 0.747 . . . . 64.55 109.043 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.0 m -101.32 133.88 45.24 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.64 0.776 . . . . 75.24 109.57 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.413 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 69.9 m-85 -125.84 120.53 30.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.264 1.026 . . . . 74.23 109.135 -175.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -128.2 132.86 48.82 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.241 0.617 . . . . 62.25 110.156 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.02 160.16 25.96 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.676 0.791 . . . . 64.12 111.192 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt . . . . . 0 C--O 1.252 1.213 0 N-CA-C 108.772 -0.825 . . . . 73.14 108.772 -177.439 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 121.419 0.628 . . . . 73.21 109.576 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.07 105.59 0.19 Allowed Glycine 0 C--N 1.342 0.886 0 N-CA-C 110.695 -0.962 . . . . 64.03 110.695 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -79.53 83.19 5.55 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.635 0.774 . . . . 72.31 109.64 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -69.15 97.84 0.95 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.574 0.75 . . . . 73.1 110.208 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.7 p-80 -106.65 -59.39 1.8 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.152 -0.931 . . . . 65.24 108.742 171.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 50.11 13.62 0.11 Allowed 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 126.03 1.732 . . . . 74.05 113.627 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -89.85 78.44 6.83 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.561 0.695 . . . . 74.22 109.896 -168.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -137.36 166.57 23.5 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 114.687 -1.142 . . . . 74.51 108.402 172.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 63.91 20.39 12.18 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.838 1.255 . . . . 75.02 110.634 -173.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.05 160.21 8.36 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.356 1.062 . . . . 71.55 111.744 -172.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.74 76.85 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.21 1.004 . . . . 50.1 112.195 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -73.85 -41.67 61.91 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.598 -1.26 . . . . 74.41 107.598 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -96.48 128.6 43.56 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.348 -1.296 . . . . 75.14 108.145 166.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -93.27 23.26 4.55 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.579 0.752 . . . . 74.22 111.05 -175.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -66.49 86.81 0.12 Allowed 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.432 0.693 . . . . 71.13 109.768 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -150.99 153.19 34.7 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.733 0.813 . . . . 72.44 110.868 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.6 tpt -138.98 68.91 1.37 Allowed 'General case' 0 C--O 1.235 0.323 0 N-CA-C 105.948 -1.871 . . . . 52.5 105.948 163.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.5 p -79.76 -9.33 59.64 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.033 -1.44 . . . . 73.41 111.706 -176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 23' ' ' GLU . 7.3 m-20 -60.48 -13.61 14.68 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.131 0.972 . . . . 73.13 112.716 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HB2' HD12 ' A' ' 21' ' ' LEU . 46.1 mm-40 -51.55 -43.8 62.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.442 0.697 . . . . 44.51 110.991 168.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 20' ' ' GLU . 2.8 mp -98.56 -35.5 10.21 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.026 0.93 . . . . 63.43 110.191 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 70' ' ' ARG . 52.0 mt -85.5 -37.13 20.04 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.794 1.405 . . . . 62.53 114.794 -166.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 40.0 tt0 -63.22 -37.23 86.41 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 118.677 0.672 . . . . 73.34 111.195 -174.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -66.73 -29.22 69.15 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 116.069 -0.514 . . . . 73.3 110.799 174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.79 -40.94 72.28 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 109.115 -0.698 . . . . 75.41 109.115 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -52.93 -50.12 64.63 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 124.192 0.933 . . . . 74.45 109.924 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 81.4 mm-40 -62.96 -37.22 86.24 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.52 1.137 . . . . 62.13 110.967 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.36 -42.01 93.23 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.266 0.626 . . . . 73.31 110.303 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 37.2 m-85 -72.99 -37.93 66.83 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.165 0.586 . . . . 73.3 110.917 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.1 -35.08 77.61 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.558 0.743 . . . . 74.22 110.129 174.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -70.42 -55.8 8.17 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.231 -0.895 . . . . 74.15 110.102 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 83.7 mt -64.63 -17.8 64.36 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.424 1.09 . . . . 73.22 112.077 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -58.43 -20.72 47.07 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 124.174 0.99 . . . . 71.31 112.003 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -56.46 -38.73 72.07 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.748 1.219 . . . . 73.03 111.705 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.443 ' HG3' HG23 ' A' ' 37' ' ' THR . 5.9 ptm180 -112.64 -20.2 11.78 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.265 1.026 . . . . 75.42 110.491 -169.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.16 37.72 87.35 Favored Glycine 0 C--N 1.352 1.434 0 O-C-N 124.138 0.899 . . . . 72.31 113.298 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.443 HG23 ' HG3' ' A' ' 35' ' ' ARG . 12.8 p -69.18 153.86 43.0 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.914 0.486 . . . . 71.23 111.001 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.16 102.17 1.62 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.047 0.927 . . . . 75.14 109.46 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.1 mt -92.48 112.92 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 114.387 -1.279 . . . . 61.53 108.867 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 41.8 t -101.56 102.84 14.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.265 -1.383 . . . . 73.54 107.265 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.2 t -93.49 110.98 24.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 108.033 -1.099 . . . . 74.32 108.033 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 14.7 tp10 -111.63 105.75 14.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.271 1.028 . . . . 75.04 108.67 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 38.1 t -89.82 134.27 29.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 N-CA-C 107.681 -1.229 . . . . 71.22 107.681 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 65.2 m170 -130.6 108.88 10.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.424 1.089 . . . . 63.02 108.785 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.492 HG12 ' HA ' ' A' ' 81' ' ' VAL . 35.1 mt -139.22 97.3 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.654 0.781 . . . . 65.43 109.843 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.9 m120 56.67 26.84 11.72 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.711 1.205 . . . . 72.35 113.754 169.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.0 -26.87 8.09 Favored Glycine 0 N--CA 1.469 0.875 0 N-CA-C 111.9 -0.48 . . . . 62.25 111.9 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -78.39 107.18 10.83 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.047 0.539 . . . . 72.2 109.731 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 35.7 ptt180 -111.39 151.01 28.98 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.691 -0.686 . . . . 64.22 109.332 176.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -146.71 114.55 6.48 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.187 -0.672 . . . . 74.51 109.187 -175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.2 107.21 17.93 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.003 0.921 . . . . 72.24 109.722 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.0 mt -111.91 107.34 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.439 -0.949 . . . . 65.24 108.439 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -100.69 103.65 14.92 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 108.311 -0.996 . . . . 72.33 108.311 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.5 m -113.36 152.19 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 124.857 1.263 . . . . 54.23 108.904 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -122.19 -58.03 1.74 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.501 0.667 . . . . 53.43 109.352 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -116.58 91.77 3.68 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.034 -0.984 . . . . 53.11 108.637 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 pp -120.89 111.78 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.957 0.903 . . . . 73.13 110.323 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -77.92 174.77 10.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.748 0.819 . . . . 74.04 110.031 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -34.1 9.57 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 115.289 1.589 . . . . 73.3 115.289 -169.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -88.15 -30.08 20.07 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.994 0.518 . . . . 73.15 111.899 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -84.7 -28.53 26.29 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.997 0.74 . . . . 71.15 112.997 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.653 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.5 pp -72.58 -26.09 61.58 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.759 -0.46 . . . . 62.32 109.759 176.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.7 mmmm -52.24 -36.83 53.47 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 114.782 -1.099 . . . . 74.22 111.127 168.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 25.9 mmtp -62.36 -30.95 71.55 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.798 0.439 . . . . 64.45 111.144 -175.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.4 mm? -61.54 -46.5 89.66 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.675 0.79 . . . . 53.2 110.857 -177.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.1 pp -81.89 -29.13 32.56 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.439 -0.801 . . . . 70.23 110.835 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 44.0 mt-10 -73.25 -19.01 61.16 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.884 0.473 . . . . 64.35 111.137 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 4.1 mmp_? -70.7 -37.65 73.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.865 0.466 . . . . 61.31 110.741 166.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -72.67 -38.7 59.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 122.952 0.501 . . . . 74.11 111.181 -176.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.627 ' HB3' HD11 ' A' ' 22' ' ' LEU . 7.8 ptp85 -59.1 -42.85 91.49 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.176 0.298 . . . . 75.21 110.794 -176.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 5.8 pt-20 -64.89 -33.12 75.27 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 109.449 -0.574 . . . . 75.32 109.449 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 72.2 mmtt -65.15 -53.0 51.78 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.926 -0.768 . . . . 65.1 108.926 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 pp -66.87 -25.8 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 115.488 -0.778 . . . . 74.43 111.06 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.43 -55.03 4.21 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 123.517 0.727 . . . . 52.24 112.506 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 37.2 ptt85 -83.16 -34.31 26.02 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 112.594 0.59 . . . . 75.54 112.594 -170.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -70.24 -46.01 65.32 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.72 -1.215 . . . . 74.21 107.72 165.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.5 -29.49 2.28 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-N 115.31 -0.859 . . . . 72.02 114.613 171.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.7 m -61.06 121.02 11.41 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.552 1.141 . . . . 70.43 111.172 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 p -74.96 78.48 2.17 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.564 1.145 . . . . 55.52 111.337 -176.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -162.2 94.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 104.986 -2.227 . . . . 75.53 104.986 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.492 ' HA ' HG12 ' A' ' 45' ' ' ILE . 47.3 t -125.21 132.7 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.839 0.856 . . . . 73.33 108.97 -172.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.537 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 34.4 tt0 -141.79 108.32 5.32 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.467 0.707 . . . . 72.31 109.658 174.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -100.85 129.2 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 108.638 -0.875 . . . . 71.12 108.638 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.558 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 39.8 m-20 -119.19 107.72 13.78 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.508 -0.923 . . . . 72.01 108.508 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 91' ' ' THR . 89.0 t -99.6 104.16 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 108.927 -0.768 . . . . 52.42 108.927 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.439 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 44.1 m-70 -98.84 112.54 24.6 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.018 0.927 . . . . 62.52 109.01 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.9 p -159.7 129.84 5.57 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 122.917 0.487 . . . . 74.22 110.229 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.31 30.64 77.06 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.931 0.769 . . . . 32.11 114.021 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.27 -2.36 87.87 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-O 119.879 -0.4 . . . . 60.43 113.465 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -106.2 157.66 17.41 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.693 0.797 . . . . 73.03 110.045 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 89.8 m -141.04 116.71 10.28 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 123.754 0.821 . . . . 42.54 109.622 173.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -95.66 116.65 29.16 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.173 -0.677 . . . . 74.12 109.173 174.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.6 p -99.33 104.58 16.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.426 0.69 . . . . 70.34 110.218 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -102.48 108.34 19.62 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.035 0.934 . . . . 74.55 110.181 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -102.61 154.41 19.16 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.544 0.738 . . . . 65.32 109.038 173.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -69.71 158.86 34.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 119.516 -0.278 . . . . 75.41 110.446 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.57 1.745 0 C-N-CA 125.709 1.604 . . . . 74.41 115.202 -162.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.2 ttm . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 110.368 -0.234 . . . . 74.23 110.368 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.19 97.96 0.12 Allowed Glycine 0 C--N 1.348 1.204 0 CA-C-N 116.322 -0.399 . . . . 34.1 112.14 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -97.33 102.35 14.11 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 108.952 -0.759 . . . . 70.32 108.952 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -157.77 122.65 4.38 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 107.114 -1.439 . . . . 73.04 107.114 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -65.98 100.35 0.57 Allowed 'General case' 0 C--N 1.351 0.639 0 O-C-N 123.868 0.73 . . . . 72.04 110.222 -174.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -74.8 -54.26 7.64 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.246 -0.888 . . . . 60.34 110.167 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -77.25 90.45 3.73 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.129 -0.693 . . . . 70.15 109.129 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -68.73 86.92 0.33 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.516 0.726 . . . . 75.04 110.082 177.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -83.23 90.76 7.15 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.419 -0.81 . . . . 71.11 109.323 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -77.02 79.82 3.55 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.827 -0.624 . . . . 72.31 109.359 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 mt -131.17 89.14 2.69 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.875 0.87 . . . . 74.51 108.943 175.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -102.54 22.84 12.86 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.016 0.926 . . . . 72.24 109.701 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -78.73 66.33 4.2 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.432 1.093 . . . . 75.33 108.665 171.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -99.75 119.88 38.84 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.014 -0.994 . . . . 60.03 109.683 -170.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -71.87 79.03 0.88 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 106.017 -1.845 . . . . 72.41 106.017 162.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -78.26 80.92 4.65 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 114.616 -1.175 . . . . 71.25 111.416 -157.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.2 tpp -97.11 139.55 32.93 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 106.882 -1.525 . . . . 73.32 106.882 168.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -65.14 141.05 58.83 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 109.748 -0.464 . . . . 61.12 109.748 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.87 162.54 23.92 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.021 0.529 . . . . 61.24 110.133 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.06 -1.34 4.08 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.493 0.717 . . . . 73.22 112.718 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 25' ' ' LEU . 4.3 pp -51.31 -28.71 12.8 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 124.122 0.969 . . . . 62.42 112.309 176.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.561 ' HB3' HD13 ' A' ' 66' ' ' LEU . 61.4 mt -56.21 -57.32 12.69 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 109.914 -0.402 . . . . 71.5 109.914 172.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.3 tt0 -65.34 -33.03 75.02 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.535 -1.211 . . . . 73.14 110.818 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -63.8 -37.52 87.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.637 0.775 . . . . 73.1 110.09 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 21' ' ' LEU . 9.2 mp -79.86 -30.02 40.2 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 115.847 -0.615 . . . . 53.24 110.161 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -61.8 -46.85 87.75 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.376 0.423 . . . . 60.23 109.864 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 58.5 mm-40 -62.51 -36.17 81.7 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.029 0.83 . . . . 75.31 110.483 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.08 -47.62 76.63 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.09 -0.959 . . . . 63.03 110.739 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' HB2' HD13 ' A' ' 62' ' ' LEU . 17.8 m-30 -67.04 -37.99 85.09 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.949 0.5 . . . . 74.3 110.735 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.88 -38.74 92.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.114 0.965 . . . . 64.04 110.842 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.58 -50.6 64.53 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.456 0.473 . . . . 73.23 109.736 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD13 HG12 ' A' ' 39' ' ' ILE . 64.4 mt -61.55 -30.19 70.49 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.028 0.931 . . . . 63.02 111.144 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -60.91 -17.54 51.43 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.174 1.39 . . . . 75.11 112.21 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.17 -30.86 66.74 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.378 0.671 . . . . 71.12 111.457 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -26.57 6.95 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.984 0.514 . . . . 73.04 110.856 171.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.28 50.28 3.69 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 109.505 -1.438 . . . . 64.21 109.505 -172.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.408 ' O ' HG13 ' A' ' 39' ' ' ILE . 1.5 m -55.76 157.82 3.98 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.405 1.482 . . . . 72.12 112.981 -175.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.536 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 5.0 pt-20 -58.59 86.54 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.724 0.81 . . . . 74.23 110.786 167.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.49 HG12 HD13 ' A' ' 32' ' ' LEU . 39.6 mt -94.18 110.37 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 109.072 -0.714 . . . . 62.21 109.072 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 62.1 t -114.06 104.89 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 108.951 -0.759 . . . . 74.22 108.951 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.586 HG21 ' HB3' ' A' ' 65' ' ' LEU . 57.3 t -93.15 109.79 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 N-CA-C 108.32 -0.993 . . . . 64.41 108.32 178.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -120.87 107.04 12.22 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.792 0.837 . . . . 54.14 108.839 -172.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 21.6 t -99.83 102.41 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.566 0.746 . . . . 65.05 109.733 -170.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.62 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 47.6 m-70 -91.65 97.2 10.88 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.617 0.767 . . . . 72.43 109.613 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.478 HG21 ' HG2' ' A' ' 76' ' ' GLU . 6.8 mt -117.7 113.26 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.308 0.643 . . . . 73.02 110.151 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 m120 50.16 28.49 3.1 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.409 1.484 . . . . 72.11 113.517 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.77 -34.13 4.18 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 122.365 -0.209 . . . . 52.13 112.977 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -79.79 145.93 32.56 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.765 0.426 . . . . 71.22 110.369 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -121.59 121.18 36.83 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.857 0.863 . . . . 71.21 109.04 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 22.9 t70 -104.17 111.98 24.81 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.985 -1.117 . . . . 71.14 107.985 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -104.97 116.86 32.67 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.727 0.411 . . . . 62.3 110.551 -172.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.3 mt -117.43 113.29 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 107.813 -1.18 . . . . 64.15 107.813 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HG2' HG13 ' A' ' 40' ' ' VAL . 47.5 mtm180 -112.33 112.1 23.44 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 109.48 -0.563 . . . . 74.5 109.48 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HA ' HH21 ' A' ' 55' ' ' ARG . 30.8 m -131.13 152.24 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.806 1.242 . . . . 71.52 109.087 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG3' ' HA ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -121.9 -85.33 0.66 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.132 -0.692 . . . . 72.44 109.132 171.628 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.68 90.86 8.41 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 108.712 -0.847 . . . . 73.11 108.712 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.615 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.6 pp -117.15 174.03 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 114.421 -1.263 . . . . 71.42 109.994 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.2 m -97.36 175.61 6.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.218 0.607 . . . . 73.32 111.359 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HD3' ' H ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -73.28 -35.01 66.09 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.012 0.525 . . . . 63.25 112.011 -174.15 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -81.39 -25.14 36.51 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.927 0.394 . . . . 52.1 109.996 174.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -73.69 -37.45 65.19 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.059 -0.518 . . . . 51.2 111.501 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.615 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.5 pp -72.3 -24.05 61.27 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 122.378 -0.201 . . . . 72.31 110.853 176.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -57.47 -34.88 69.48 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 116.149 -0.478 . . . . 54.01 110.544 168.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 25.3 mmmt -63.21 -33.94 76.57 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 119.159 -0.448 . . . . 75.2 110.841 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.586 ' HB3' HG21 ' A' ' 41' ' ' VAL . 85.2 mt -56.59 -47.4 79.65 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 123.815 0.697 . . . . 64.4 111.101 -175.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 22' ' ' LEU . 3.7 pp -83.15 -27.09 30.34 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.711 -1.131 . . . . 63.21 111.255 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 53.3 mt-10 -70.24 -26.4 63.82 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.212 0.205 . . . . 64.45 111.374 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 1.3 mmp_? -65.51 -42.49 92.03 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 108.814 -0.81 . . . . 64.22 108.814 172.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.29 -47.82 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.003 0.921 . . . . 64.12 111.263 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 19.6 ptt180 -59.05 -37.67 77.58 Favored 'General case' 0 C--N 1.364 1.224 0 O-C-N 123.782 0.676 . . . . 75.14 109.971 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' HB3' ' NH2' ' A' ' 75' ' ' ARG . 44.4 mt-10 -58.89 -41.93 88.33 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.386 0.674 . . . . 71.1 110.58 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 69.4 mmtt -66.44 -53.73 32.15 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.911 0.757 . . . . 65.24 109.409 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.9 pp -66.35 -31.95 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 112.035 0.383 . . . . 72.03 112.035 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -64.3 -47.92 77.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.676 0.39 . . . . 54.04 110.352 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.501 ' NH2' ' HB3' ' A' ' 71' ' ' GLU . 6.8 ptp180 -74.29 -33.9 63.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.313 0.486 . . . . 54.43 112.313 -172.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -79.98 -53.74 6.45 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.196 0.198 . . . . 70.5 110.79 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.2 35.01 68.35 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.345 0.403 . . . . 72.42 113.641 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.4 t -99.81 -163.73 1.06 Allowed 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.313 1.045 . . . . 74.44 109.578 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 m -131.45 51.75 2.12 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.148 0.579 . . . . 63.15 110.26 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -157.26 101.35 1.89 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.749 -0.834 . . . . 73.05 108.749 171.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.83 140.37 39.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 123.978 0.911 . . . . 72.35 110.167 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.62 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 11.1 tp10 -143.08 139.17 30.36 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.015 1.326 . . . . 54.43 107.868 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 63.3 t -132.43 109.73 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.436 -0.949 . . . . 54.32 108.436 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -103.24 109.0 20.44 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.148 0.579 . . . . 74.13 109.652 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -93.8 123.54 45.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 107.519 -1.289 . . . . 75.33 107.519 170.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 25.9 m-70 -114.36 112.71 23.49 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.375 -1.343 . . . . 64.2 107.375 -177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 20.3 m -149.34 123.05 9.23 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.312 0.645 . . . . 72.15 110.704 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.424 ' H ' ' HG3' ' A' ' 38' ' ' GLU . . . 72.22 21.04 79.42 Favored Glycine 0 C--N 1.348 1.25 0 O-C-N 124.058 0.849 . . . . 42.41 113.052 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.37 -20.37 46.84 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 120.04 -0.311 . . . . 75.22 113.075 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -83.38 142.06 31.3 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.096 0.558 . . . . 74.24 110.154 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.2 m -124.62 116.48 22.47 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.391 0.676 . . . . 70.22 109.617 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -90.1 117.08 28.61 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.875 0.87 . . . . 74.11 108.964 173.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.2 p -97.46 104.65 16.69 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.496 0.718 . . . . 74.23 110.505 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.513 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 87.5 m-85 -96.79 103.22 15.13 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.482 -0.932 . . . . 71.11 108.482 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -111.89 161.08 16.78 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 124.809 1.243 . . . . 72.41 109.38 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -50.33 140.97 12.5 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.0 0.92 . . . . 73.34 112.242 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt . . . . . 0 CA--C 1.558 1.279 0 CA-C-N 114.775 -1.102 . . . . 65.31 110.967 -171.778 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.558 0.218 . . . . 62.4 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.06 -116.92 4.34 Favored Glycine 0 C--N 1.347 1.157 0 CA-C-N 115.654 -0.703 . . . . 31.21 112.618 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -72.43 85.75 1.13 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.663 0.785 . . . . 50.52 111.621 -175.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -157.26 76.51 0.84 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.204 0.602 . . . . 75.53 109.446 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -83.0 65.09 7.95 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.542 0.687 . . . . 73.25 111.184 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -161.66 79.07 0.56 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.781 -0.822 . . . . 54.32 108.781 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -65.35 84.91 0.06 Allowed 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 122.131 0.967 . . . . 72.11 110.803 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -85.59 91.67 8.33 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.068 -0.969 . . . . 44.42 111.657 -169.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -88.45 84.19 6.81 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.23 -1.396 . . . . 63.22 107.23 165.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.21 -30.52 64.62 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.32 1.048 . . . . 65.34 112.155 -169.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.6 mt 62.21 26.76 16.07 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.188 0.995 . . . . 72.02 109.88 -171.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -126.22 -160.71 1.0 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.535 1.534 . . . . 75.32 109.458 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -78.85 113.17 16.72 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 109.006 -0.739 . . . . 70.35 109.006 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -17.04 62.72 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.957 0.503 . . . . 73.31 111.587 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.3 m 57.69 71.8 0.56 Allowed 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.514 1.526 . . . . 73.41 112.196 168.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 59.19 37.23 23.95 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.999 0.92 . . . . 54.23 111.301 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 62.86 15.47 8.29 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 124.982 1.313 . . . . 53.24 112.856 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 m -82.4 -26.44 32.8 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.279 0.631 . . . . 62.41 112.051 -171.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.79 82.78 0.89 Allowed 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 122.244 1.021 . . . . 71.41 111.416 -172.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -153.24 -57.16 0.13 Allowed 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.405 -1.331 . . . . 71.22 107.405 171.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.03 -32.62 74.02 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 124.063 0.852 . . . . 52.21 110.04 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -54.04 -56.84 14.18 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.14 0.9 . . . . 71.02 109.728 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 40.1 tt0 -65.56 -32.79 74.57 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 119.323 -0.37 . . . . 74.54 111.522 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -61.01 -32.27 71.86 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.047 0.385 . . . . 71.44 110.8 176.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -83.16 -31.24 27.26 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 109.436 -0.579 . . . . 70.44 109.436 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.598 ' HB2' HD21 ' A' ' 66' ' ' LEU . 67.6 ttp85 -64.97 -41.29 95.57 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 122.717 0.407 . . . . 74.51 109.95 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.6 mm-40 -61.34 -39.09 89.28 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.902 0.751 . . . . 54.44 109.548 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 58.9 tp -62.33 -44.87 95.48 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.265 -0.879 . . . . 72.53 110.521 174.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.529 ' HB3' HD22 ' A' ' 62' ' ' LEU . 25.7 m-85 -72.36 -26.69 62.01 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.997 0.519 . . . . 72.53 111.954 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 11.7 mm-40 -78.18 -24.55 47.16 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.465 0.706 . . . . 54.3 109.252 175.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -75.75 -32.19 59.88 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.078 0.951 . . . . 55.22 109.754 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 83.8 mt -84.35 -18.07 37.38 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 114.582 -1.19 . . . . 60.31 110.948 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 30' ' ' GLU . 3.5 t-160 -54.38 -29.88 50.08 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.516 1.127 . . . . 72.34 111.821 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.64 -36.49 80.93 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.002 0.521 . . . . 51.43 111.945 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.42 -44.16 5.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.789 0.436 . . . . 62.32 110.49 -178.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.41 39.15 97.41 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.968 0.793 . . . . 61.33 113.204 -175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 t -71.96 -173.69 1.07 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.765 0.826 . . . . 70.55 110.822 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.9 pm0 -63.5 97.29 0.14 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.359 0.6 . . . . 75.22 110.286 173.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.8 mt -95.56 109.64 22.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.501 -1.296 . . . . 74.52 107.501 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.527 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 41.5 t -112.65 106.02 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 108.296 -1.001 . . . . 72.14 108.296 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.1 109.79 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.252 -1.018 . . . . 73.4 108.252 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 63.1 tt0 -116.84 105.86 12.83 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.897 0.879 . . . . 65.45 109.282 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.51 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 59.7 t -98.07 103.39 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.454 1.102 . . . . 71.34 108.858 -170.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 63.8 m170 -87.92 104.67 16.83 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.722 0.809 . . . . 74.5 109.332 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 40.3 mt -127.2 123.59 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 109.02 -0.733 . . . . 62.15 109.02 173.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 65.36 19.04 11.55 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.222 1.009 . . . . 63.13 112.874 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.96 -19.94 45.09 Favored Glycine 0 C--N 1.35 1.324 0 C-N-CA 123.061 0.362 . . . . 41.25 112.934 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 43.8 mt-10 -83.27 152.05 25.34 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.918 0.887 . . . . 71.5 110.618 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -121.68 129.62 52.89 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 124.365 1.066 . . . . 74.42 109.539 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.51 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 24.6 t70 -107.07 107.35 18.31 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.226 -1.398 . . . . 51.53 107.226 170.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -115.31 115.4 26.57 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.958 0.503 . . . . 63.31 109.951 -167.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 10.6 mt -119.3 107.56 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 108.677 -0.86 . . . . 64.34 108.677 -175.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 126.89 34.28 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.966 -1.124 . . . . 75.21 107.966 174.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.437 HG11 HD11 ' A' ' 65' ' ' LEU . 4.8 p -139.67 139.78 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 109.143 -0.688 . . . . 63.54 109.143 172.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 35.2 mtp180 -135.72 133.17 37.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.527 0.731 . . . . 74.03 109.479 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.3 m120 59.2 80.24 0.2 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.742 1.217 . . . . 74.14 111.271 170.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 pp -144.32 166.34 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.362 0.665 . . . . 72.02 112.222 -173.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.511 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 13.2 m -83.99 173.27 11.3 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.275 1.03 . . . . 60.41 110.564 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HA ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.87 -24.37 55.72 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 111.996 0.369 . . . . 72.2 111.996 -178.782 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -75.31 -18.78 59.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.506 0.322 . . . . 63.13 111.051 172.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HG3' ' HB2' ' A' ' 58' ' ' SER . 27.9 mt-10 -89.56 -42.37 11.46 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.359 0.663 . . . . 74.25 110.463 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 59' ' ' LYS . 4.3 pp -69.17 -21.02 64.01 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 122.389 -0.194 . . . . 73.31 110.746 173.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -36.57 63.22 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 124.151 0.98 . . . . 74.35 110.155 171.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 14.1 mmmm -62.94 -31.01 72.01 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.612 -0.722 . . . . 71.41 110.676 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 69' ' ' ILE . 68.2 mt -61.12 -46.1 91.97 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.665 0.386 . . . . 74.5 110.035 176.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 26' ' ' ARG . 7.5 mp -58.44 -47.51 83.72 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 124.174 0.921 . . . . 71.14 110.8 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 10.0 pt-20 -70.62 -29.64 66.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.771 -0.649 . . . . 62.02 111.115 -175.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 12.9 mmp_? -64.4 -36.87 85.54 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.665 0.211 . . . . 73.44 110.57 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 65' ' ' LEU . 67.1 mt -66.79 -48.13 80.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 124.172 0.92 . . . . 64.24 109.942 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 6.9 ptm180 -60.53 -36.38 78.27 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 123.224 0.328 . . . . 72.04 110.571 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 30.4 mm-40 -59.41 -37.83 79.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.341 0.256 . . . . 74.3 110.75 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -75.11 -50.3 16.81 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.766 0.426 . . . . 74.11 110.541 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.4 pp -65.22 -29.21 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 116.242 -0.435 . . . . 72.3 111.27 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -76.48 -52.09 10.49 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.526 0.731 . . . . 73.12 110.814 176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -61.27 -44.81 96.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.965 0.906 . . . . 74.35 111.212 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.6 -41.05 69.41 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.648 0.779 . . . . 60.44 110.284 174.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.21 44.23 97.99 Favored Glycine 0 C--N 1.35 1.35 0 N-CA-C 111.456 -0.658 . . . . 60.01 111.456 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 t -123.32 150.49 43.54 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.762 0.825 . . . . 75.3 110.942 -168.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 m -97.85 2.98 49.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.03 0.932 . . . . 54.02 111.039 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 7.1 tp10 -84.61 41.42 0.85 Allowed 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.401 1.08 . . . . 62.54 110.037 -177.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.5 t -99.92 129.51 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.061 0.944 . . . . 70.34 110.406 -170.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 36.2 tt0 -139.04 106.55 5.57 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.303 -0.999 . . . . 74.41 108.303 174.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.67 113.64 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 108.398 -0.964 . . . . 74.15 108.398 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -101.27 106.39 17.58 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.028 -1.101 . . . . 70.01 108.028 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.12 109.16 21.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.849 -1.167 . . . . 70.23 107.849 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.527 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 88.1 m-70 -99.5 113.1 25.28 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.818 -1.179 . . . . 75.25 107.818 -178.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.1 t -153.38 110.5 3.46 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.254 0.479 . . . . 64.34 110.247 -173.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.65 28.44 73.54 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 123.769 0.668 . . . . 43.13 112.936 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.1 -2.45 86.93 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-O 120.175 -0.236 . . . . 32.31 113.673 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -94.58 124.08 38.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.819 0.848 . . . . 74.31 109.339 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.1 m -115.87 112.47 21.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 61.02 110.133 -177.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -101.39 121.99 42.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.774 0.829 . . . . 72.4 109.249 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.5 p -104.01 115.82 31.12 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.97 0.908 . . . . 65.21 110.396 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -104.45 112.07 24.98 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.944 0.898 . . . . 75.53 110.168 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -109.36 148.37 31.2 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.164 0.986 . . . . 71.34 110.811 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -95.7 133.5 39.71 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 108.759 -0.83 . . . . 73.31 108.759 166.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt . . . . . 0 CA--C 1.547 0.838 0 C-N-CA 123.937 0.895 . . . . 74.12 108.681 176.01 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.562 -0.162 . . . . 64.54 110.562 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 53.94 59.02 10.48 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 115.081 0.792 . . . . 54.42 115.081 170.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -85.54 87.64 7.42 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 122.328 -0.513 . . . . 71.24 110.211 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -167.94 98.1 0.45 Allowed 'General case' 0 C--N 1.353 0.733 0 O-C-N 123.508 0.505 . . . . 73.23 109.833 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -76.87 96.23 4.27 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 121.153 0.501 . . . . 70.32 111.061 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -101.47 114.37 28.32 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.348 1.059 . . . . 74.33 108.249 173.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -78.32 122.52 25.85 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.543 0.337 . . . . 71.44 110.759 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -77.05 -8.01 56.69 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.366 1.066 . . . . 72.04 110.417 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.42 101.8 2.04 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.48 1.112 . . . . 71.34 109.954 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -83.56 89.54 7.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.707 0.803 . . . . 55.23 109.881 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.88 98.47 2.47 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.262 0.625 . . . . 73.34 109.321 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -133.24 52.86 2.05 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.367 1.067 . . . . 72.32 109.043 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -116.26 -68.16 0.94 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.752 0.821 . . . . 71.53 109.087 -177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -87.93 -4.63 58.81 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.154 0.982 . . . . 75.13 110.995 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 m -67.32 135.52 53.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.808 0.843 . . . . 71.14 110.041 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -133.26 -70.79 0.53 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.353 -0.98 . . . . 54.12 108.353 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.8 ptp -174.22 -179.24 1.59 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.468 1.107 . . . . 64.21 109.514 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.414 HG21 HD11 ' A' ' 73' ' ' ILE . 9.9 t -143.22 31.37 1.37 Allowed 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.74 0.781 . . . . 73.32 110.321 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -72.41 80.92 1.04 Allowed 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.303 -0.862 . . . . 71.42 111.078 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.96 -57.49 0.03 OUTLIER 'General case' 0 C--O 1.239 0.551 0 N-CA-C 106.64 -1.615 . . . . 45.33 106.64 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.85 -47.35 86.78 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.444 -0.798 . . . . 73.32 109.117 169.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.3 mt -56.21 -39.29 72.25 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.326 -1.306 . . . . 65.15 111.567 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 8.9 tp10 -55.07 -42.02 72.23 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.321 1.013 . . . . 74.01 110.991 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -61.72 -34.36 75.66 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.332 -0.849 . . . . 71.05 110.944 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.51 -32.28 24.02 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.406 -0.816 . . . . 72.34 110.162 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -67.92 -37.96 82.32 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.147 0.579 . . . . 73.35 110.692 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 87.3 mm-40 -62.77 -40.02 95.98 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.303 -0.862 . . . . 73.12 110.342 175.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.81 -41.82 95.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.361 -0.836 . . . . 73.14 111.164 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.455 ' HB2' HD13 ' A' ' 62' ' ' LEU . 22.6 m-30 -65.23 -33.38 75.87 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.903 -0.589 . . . . 75.14 110.611 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.16 -37.72 84.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.76 0.824 . . . . 41.13 111.593 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 48.3 mt-10 -61.63 -37.24 83.24 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.497 0.719 . . . . 64.24 110.88 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 mt -81.53 -28.43 33.97 Favored 'General case' 0 CA--C 1.561 1.399 0 CA-C-O 121.552 0.691 . . . . 73.12 110.927 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -62.14 -35.26 78.24 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.44 1.096 . . . . 74.04 111.409 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.3 pt-20 -61.79 -28.9 69.79 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 123.399 0.437 . . . . 72.31 111.777 -177.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -108.81 -13.87 14.69 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.034 -0.53 . . . . 73.24 110.781 -170.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.92 44.47 68.13 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.813 0.696 . . . . 43.43 112.275 171.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.0 t -101.26 171.23 7.72 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 109.302 -0.629 . . . . 55.13 109.302 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -80.11 142.16 35.09 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.812 0.339 . . . . 71.24 111.012 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 57' ' ' ILE . 33.9 mt -117.1 112.56 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.499 -0.926 . . . . 60.42 108.499 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 73.3 t -101.49 101.67 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 108.818 -0.808 . . . . 45.5 108.818 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.88 111.32 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.1 -0.704 . . . . 60.24 109.1 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 43.7 tt0 -109.07 106.71 16.75 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.031 0.933 . . . . 65.25 109.284 -175.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 58.3 t -89.18 104.48 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 124.422 1.089 . . . . 71.45 109.508 -177.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 53.0 m170 -90.77 113.76 25.97 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.698 0.799 . . . . 71.22 108.868 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.43 HG21 ' HG3' ' A' ' 76' ' ' GLU . 23.8 mt -133.21 110.3 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 109.351 -0.611 . . . . 61.44 109.351 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 62.93 25.8 15.23 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.139 0.976 . . . . 64.13 112.297 170.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.9 -17.8 35.03 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 116.185 -0.461 . . . . 71.24 113.189 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 38.2 mt-10 -81.68 145.21 30.66 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.29 0.636 . . . . 70.14 110.449 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -123.39 128.82 50.4 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.361 1.064 . . . . 70.54 108.983 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 31.6 t70 -127.96 112.33 14.54 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.494 0.718 . . . . 74.14 109.354 178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -102.63 120.11 39.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.149 0.58 . . . . 75.05 109.856 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.7 mt -117.76 104.92 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.343 -0.984 . . . . 73.24 108.343 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HG2' HG22 ' A' ' 40' ' ' VAL . 75.7 mtp180 -94.27 115.1 27.3 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.575 -0.898 . . . . 75.04 108.575 176.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.58 ' HB ' HG21 ' A' ' 57' ' ' ILE . 6.8 m -112.05 105.37 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 108.349 -0.982 . . . . 65.22 108.349 170.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -95.82 107.59 19.85 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.347 -0.612 . . . . 75.14 109.347 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 66.7 88.52 0.11 Allowed 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.404 1.065 . . . . 71.1 109.597 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.62 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.0 pp -126.93 157.48 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 115.441 -0.799 . . . . 73.31 111.108 -175.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -101.26 -177.45 3.45 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.64 0.776 . . . . 62.4 112.026 -172.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -56.76 -42.49 79.47 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.006 1.323 . . . . 72.22 113.429 -170.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -31.34 18.74 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.526 0.731 . . . . 72.14 110.938 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.65 -37.73 87.36 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.869 -0.605 . . . . 40.1 111.567 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.62 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.3 pp -66.35 -24.15 66.46 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.853 0.461 . . . . 75.43 111.645 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HA ' HD21 ' A' ' 66' ' ' LEU . 96.3 mttt -63.38 -25.86 68.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.428 0.691 . . . . 73.3 111.333 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 11.3 mmpt? -68.36 -22.68 64.65 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.738 -0.665 . . . . 74.11 112.115 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -70.77 -53.29 16.03 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.899 0.48 . . . . 71.33 111.073 -177.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -63.56 -30.49 71.6 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.441 0.463 . . . . 75.44 110.961 173.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -64.89 -38.44 90.99 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 123.101 0.56 . . . . 54.45 111.111 172.822 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 3.3 mmp_? -71.44 -22.62 61.81 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.772 0.429 . . . . 75.13 111.791 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 66' ' ' LEU . 63.6 mt -82.07 -47.57 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.813 0.845 . . . . 75.42 110.147 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 6.5 ppt_? -60.72 -36.32 78.54 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.135 -0.939 . . . . 61.43 111.164 -173.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -30.75 69.48 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 109.112 -0.699 . . . . 72.3 109.112 -176.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 33.6 mmtp -66.03 -57.49 7.63 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 108.423 -0.954 . . . . 72.24 108.423 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.499 HG22 HG21 ' A' ' 81' ' ' VAL . 2.4 pp -63.75 -26.59 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 O-C-N 123.461 0.476 . . . . 74.24 112.156 -172.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -78.84 -38.69 37.39 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.244 0.618 . . . . 72.43 112.219 175.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -75.27 -44.25 46.89 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 122.961 0.504 . . . . 70.03 111.878 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 45' ' ' ILE . 24.3 mm-40 -72.05 -45.36 61.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.115 0.566 . . . . 71.33 109.656 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.73 -5.14 32.35 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.136 -0.938 . . . . 13.32 113.508 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.9 p -79.66 143.44 34.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.971 0.908 . . . . 75.12 109.992 -172.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.6 t -76.4 -30.33 57.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.05 0.94 . . . . 74.04 111.097 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.5 84.98 1.13 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.621 0.769 . . . . 41.53 110.735 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.499 HG21 HG22 ' A' ' 73' ' ' ILE . 56.9 t -135.51 133.18 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.27 1.028 . . . . 74.23 109.811 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -142.59 117.41 9.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.798 1.239 . . . . 72.2 108.992 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.2 t -99.45 117.61 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.424 0.69 . . . . 62.54 109.3 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -101.93 108.07 19.41 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.149 -1.056 . . . . 73.32 108.149 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.8 t -92.58 108.56 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 107.172 -1.418 . . . . 74.15 107.172 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.618 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 62.0 m-70 -99.76 128.91 45.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.096 0.958 . . . . 75.42 108.61 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 t -157.64 112.32 2.67 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.109 -0.7 . . . . 71.34 109.109 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.47 26.45 71.8 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 123.689 0.618 . . . . 14.4 113.124 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.24 -18.31 49.27 Favored Glycine 0 C--N 1.349 1.255 0 C-N-CA 123.056 0.36 . . . . 74.45 113.341 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 95.3 mt-30 -79.25 142.81 35.87 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.87 0.868 . . . . 74.21 109.754 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.8 m -131.73 124.7 30.28 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 122.85 0.46 . . . . 73.02 109.867 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 -106.15 113.52 27.1 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.828 -1.175 . . . . 75.33 107.828 172.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.7 p -96.2 102.69 14.52 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.268 0.627 . . . . 64.4 109.933 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -91.12 105.67 17.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.638 -1.245 . . . . 74.34 107.638 174.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -118.89 131.85 56.07 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 109.217 -0.66 . . . . 72.25 109.217 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -80.44 107.9 13.62 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 107.177 -1.416 . . . . 73.52 107.177 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp . . . . . 0 C--O 1.248 1.02 0 C-N-CA 123.723 0.809 . . . . 73.23 109.936 -170.225 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 111.644 0.239 . . . . 74.01 111.644 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.97 64.62 1.2 Allowed Glycine 0 C--N 1.35 1.315 0 CA-C-N 117.025 -0.08 . . . . 72.52 112.925 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -106.13 115.33 30.05 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.048 -0.723 . . . . 72.31 109.048 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -129.59 138.79 51.47 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 123.95 0.9 . . . . 74.53 109.107 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -74.75 91.77 2.42 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.183 -0.673 . . . . 73.35 109.183 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -77.52 86.54 3.86 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 107.358 -1.349 . . . . 72.11 107.358 172.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -56.95 138.12 54.52 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.213 -0.903 . . . . 72.12 111.397 -170.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -76.38 167.22 22.25 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.479 -0.782 . . . . 63.23 110.887 -176.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.72 153.01 28.08 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.304 -0.862 . . . . 72.13 110.257 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -103.24 143.08 33.11 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.511 0.724 . . . . 72.54 109.999 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.532 ' HB2' ' HD2' ' A' ' 13' ' ' PHE . 2.6 pt? -68.24 139.99 56.03 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.737 0.648 . . . . 62.33 110.226 176.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -102.38 17.59 23.16 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.763 0.825 . . . . 73.22 110.752 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.532 ' HD2' ' HB2' ' A' ' 11' ' ' LEU . 96.3 m-85 -74.83 143.49 43.89 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.326 0.65 . . . . 73.34 109.857 175.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -64.89 -29.65 70.6 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.078 0.862 . . . . 63.34 110.979 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.7 p -70.78 78.53 0.61 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.662 0.785 . . . . 75.31 110.45 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -87.44 79.32 8.45 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.072 -1.084 . . . . 73.44 108.072 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 mtt -77.96 148.37 34.49 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.028 -0.987 . . . . 64.44 110.256 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.633 HG23 HD11 ' A' ' 73' ' ' ILE . 30.9 m -73.57 150.49 41.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.254 0.622 . . . . 74.02 110.45 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.52 154.51 41.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.331 0.652 . . . . 61.31 111.535 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -80.04 15.15 1.57 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.939 0.896 . . . . 75.4 113.178 -175.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -64.5 -22.29 66.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.907 0.483 . . . . 72.41 110.808 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.489 ' HB3' HD23 ' A' ' 66' ' ' LEU . 67.5 mt -56.7 -57.78 10.92 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 124.018 0.927 . . . . 55.03 111.395 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 38.6 tt0 -66.62 -21.3 66.12 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.208 -0.451 . . . . 73.43 111.782 -174.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -65.17 -37.44 87.38 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.982 0.513 . . . . 72.22 109.954 174.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.28 -34.83 63.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.87 -0.605 . . . . 74.42 110.409 172.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.551 HH11 ' HG3' ' A' ' 30' ' ' GLU . 6.9 tmm_? -61.1 -36.67 80.31 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.118 0.567 . . . . 42.3 110.167 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 12.0 mm100 -60.12 -45.65 92.28 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.321 0.581 . . . . 73.34 110.354 175.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.0 -37.73 88.63 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.665 -1.152 . . . . 75.35 110.94 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.45 ' HB3' HD22 ' A' ' 62' ' ' LEU . 21.7 m-30 -75.2 -28.18 59.88 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.316 0.647 . . . . 73.22 110.804 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.551 ' HG3' HH11 ' A' ' 26' ' ' ARG . 37.5 mm-40 -69.73 -32.27 70.73 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.167 0.587 . . . . 65.24 110.666 171.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 40.4 tt0 -73.28 -34.81 65.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.625 0.77 . . . . 63.54 110.963 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 93.5 mt -79.21 -19.88 49.69 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 122.746 0.418 . . . . 71.03 110.418 175.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -66.74 -23.33 66.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.078 0.551 . . . . 74.04 111.072 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 1.9 pp20? -69.07 -24.22 64.13 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-O 119.778 -0.153 . . . . 73.51 111.054 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.513 ' HD2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -114.82 -9.48 12.5 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 117.592 0.178 . . . . 70.13 110.84 174.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.92 27.83 67.58 Favored Glycine 0 C--N 1.351 1.367 0 C-N-CA 123.858 0.742 . . . . 74.32 114.858 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.413 ' HB ' ' HG2' ' A' ' 35' ' ' ARG . 7.4 t -73.72 179.9 3.95 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.422 0.689 . . . . 32.13 111.781 -171.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 9.8 pt-20 -71.92 113.17 8.67 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.01 -0.996 . . . . 63.34 110.828 174.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.486 HD12 HD11 ' A' ' 57' ' ' ILE . 61.3 mt -97.24 119.24 45.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.575 -0.898 . . . . 73.05 108.575 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 18.2 t -108.03 103.01 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.572 -0.899 . . . . 60.23 108.572 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.461 HG21 ' HB3' ' A' ' 65' ' ' LEU . 45.2 t -94.81 138.44 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 108.114 -1.069 . . . . 73.32 108.114 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 38.7 tt0 -138.3 108.29 6.36 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.978 0.354 . . . . 72.33 110.649 -173.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 41.7 t -88.88 119.4 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.579 0.752 . . . . 71.52 109.963 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -104.99 111.43 24.21 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.856 0.863 . . . . 75.52 109.924 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.1 mt -137.16 114.17 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 109.498 -0.556 . . . . 74.34 109.498 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.36 16.01 5.92 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.111 1.364 . . . . 65.5 113.683 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.94 -15.83 13.57 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 119.829 -0.429 . . . . 74.14 113.198 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.93 117.02 21.2 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.209 0.604 . . . . 74.04 110.344 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -96.19 122.61 39.23 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 108.579 -0.897 . . . . 74.51 108.579 170.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.552 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 36.0 t70 -110.8 109.27 19.4 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.353 -0.98 . . . . 75.41 108.353 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -92.72 131.94 37.36 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.389 -0.596 . . . . 53.12 109.389 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 mt -131.39 105.0 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 106.636 -1.616 . . . . 74.33 106.636 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.568 ' HG2' HG22 ' A' ' 40' ' ' VAL . 68.2 mtm180 -103.54 127.53 50.93 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.828 -0.805 . . . . 71.24 108.828 178.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -139.45 145.98 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 123.074 0.55 . . . . 44.25 109.635 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG2' ' HB3' ' A' ' 38' ' ' GLU . 68.5 mtp85 -128.14 142.94 51.04 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.215 0.606 . . . . 72.35 110.096 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 m120 51.89 77.26 0.15 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 124.9 1.375 . . . . 62.14 111.824 169.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.558 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.8 pp -140.48 145.59 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.475 0.71 . . . . 74.43 111.056 -173.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -93.79 -175.63 3.8 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.932 0.893 . . . . 55.1 111.442 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 60.0 pttt -52.33 -48.65 65.34 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.259 1.024 . . . . 71.51 112.369 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.54 -25.11 62.09 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.391 0.676 . . . . 64.22 111.427 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -83.54 -41.34 18.05 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.525 0.73 . . . . 73.14 111.119 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.558 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.6 pp -69.83 -20.47 63.43 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.404 -0.362 . . . . 62.44 110.786 176.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 11.2 mmmm -55.3 -29.81 58.97 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.325 0.65 . . . . 75.31 112.14 170.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -64.53 -32.82 74.63 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 123.363 0.414 . . . . 51.15 111.288 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' HB3' HG21 ' A' ' 41' ' ' VAL . 62.9 mt -63.62 -37.56 87.8 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.545 0.738 . . . . 74.11 110.03 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 26' ' ' ARG . 6.3 mp -65.71 -46.74 77.83 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 114.773 -1.103 . . . . 73.44 109.834 176.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 43.8 mt-10 -70.88 -23.11 62.24 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.463 -0.79 . . . . 60.12 112.005 -177.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -63.86 -41.57 97.76 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.42 0.688 . . . . 53.21 110.898 173.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.7 mt -65.5 -42.39 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 115.112 -0.949 . . . . 71.51 109.546 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 2.3 ptp180 -61.01 -38.8 87.35 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 123.781 0.675 . . . . 62.25 110.474 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 44.1 mt-10 -59.03 -35.5 73.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.409 0.684 . . . . 62.34 110.776 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HA ' ' HG2' ' A' ' 75' ' ' ARG . 17.8 mmtp -83.91 -44.45 14.24 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 116.032 -0.531 . . . . 74.14 110.926 -172.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.633 HD11 HG23 ' A' ' 18' ' ' THR . 31.8 pt -70.33 -27.17 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 116.774 -0.194 . . . . 60.33 110.893 -178.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.29 -30.14 19.86 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.224 0.61 . . . . 74.22 112.156 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 72' ' ' LYS . 3.1 ptm180 -68.36 -35.49 77.81 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 118.871 0.76 . . . . 73.23 109.738 174.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 78' ' ' SER . 10.0 tp10 -86.95 -75.94 0.38 Allowed 'General case' 0 C--N 1.349 0.548 0 N-CA-C 109.485 -0.561 . . . . 73.4 109.485 177.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.94 -20.55 31.11 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-O 119.61 -0.55 . . . . 53.32 112.413 -175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.472 ' H ' ' HG3' ' A' ' 76' ' ' GLU . 58.4 m -62.11 143.67 56.36 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.554 0.742 . . . . 41.52 111.436 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.2 m -76.79 -5.88 50.0 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.029 0.931 . . . . 73.04 111.213 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -78.51 77.17 5.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.966 1.306 . . . . 74.01 109.497 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.01 133.76 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 115.255 -0.884 . . . . 75.23 110.597 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -128.7 124.12 34.85 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.729 1.612 . . . . 71.42 107.781 172.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.96 120.48 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 108.85 -0.796 . . . . 45.15 108.85 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 2.2 m120 -103.02 146.66 28.02 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.076 -0.712 . . . . 74.02 109.076 177.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.44 142.49 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 106.963 -1.495 . . . . 61.21 106.963 169.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.604 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 22.3 m-70 -136.02 131.05 34.46 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 107.95 -1.13 . . . . 74.41 107.95 -177.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 p -159.21 136.28 9.66 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.595 -0.52 . . . . 44.53 109.595 171.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.74 -88.38 0.29 Allowed Glycine 0 C--N 1.351 1.383 0 O-C-N 123.714 0.634 . . . . 53.54 112.272 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.79 9.27 1.18 Allowed Glycine 0 N--CA 1.47 0.965 0 N-CA-C 111.72 -0.552 . . . . 71.03 111.72 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -98.96 146.35 26.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.147 0.979 . . . . 74.4 109.38 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.5 m -138.18 122.5 18.23 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.635 0.774 . . . . 72.42 110.109 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -103.36 145.54 29.83 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.597 1.159 . . . . 72.5 108.884 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.3 p -133.0 139.69 47.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.23 0.612 . . . . 72.31 109.875 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -121.99 104.64 9.66 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.098 -1.445 . . . . 74.34 107.098 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -101.94 130.72 48.52 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.0 0.52 . . . . 75.43 110.166 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -74.54 129.92 38.62 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.351 -0.611 . . . . 72.22 109.351 168.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.979 0 C-N-CA 124.287 1.035 . . . . 74.35 110.408 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.484 1.275 0 N-CA-C 109.087 -0.708 . . . . 74.43 109.087 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.08 -150.68 19.81 Favored Glycine 0 C--N 1.343 0.925 0 N-CA-C 111.481 -0.647 . . . . 43.41 111.481 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -69.55 148.85 48.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.289 -0.634 . . . . 74.33 109.289 171.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -131.03 117.64 19.45 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.653 -0.869 . . . . 71.52 108.653 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -63.3 103.68 0.52 Allowed 'General case' 0 C--O 1.238 0.465 0 N-CA-C 108.262 -1.014 . . . . 62.14 108.262 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -82.87 153.02 25.33 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.572 -0.74 . . . . 72.42 110.532 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -72.65 92.93 1.57 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.002 -0.999 . . . . 72.43 109.134 176.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -67.31 143.97 56.13 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.701 -0.682 . . . . 74.04 109.712 170.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -72.28 152.54 42.07 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.741 -0.466 . . . . 74.12 109.741 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -127.66 103.27 7.22 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.75 -0.833 . . . . 75.1 108.75 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.6 mt -74.02 178.88 4.68 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.011 -0.737 . . . . 72.13 109.011 168.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -59.69 -58.38 8.81 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 122.625 0.37 . . . . 73.43 110.711 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 54.17 26.33 6.56 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.785 0.834 . . . . 75.54 110.978 -173.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -71.52 95.09 1.36 Allowed 'General case' 0 C--N 1.352 0.676 0 CA-C-N 115.655 -0.702 . . . . 72.43 110.636 -168.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.7 m -144.39 173.23 11.96 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 124.978 1.311 . . . . 74.24 108.94 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -25.98 64.15 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.672 -0.695 . . . . 71.45 111.024 174.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.4 ttt 56.06 32.65 20.4 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.093 1.357 . . . . 72.13 111.331 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 m -73.54 106.98 5.56 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.973 -0.558 . . . . 74.22 110.445 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -72.83 139.05 46.72 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.634 -0.712 . . . . 63.22 109.433 176.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.12 22.23 0.99 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.46 0.704 . . . . 72.25 111.881 -174.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.72 -25.21 66.27 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 123.285 0.634 . . . . 71.22 110.528 166.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 70' ' ' ARG . 93.6 mt -49.52 -42.44 43.73 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.059 0.943 . . . . 71.52 111.051 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 11.2 tp10 -56.47 -44.25 80.41 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.143 0.902 . . . . 71.51 111.001 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -67.17 -33.68 75.92 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 114.922 -1.035 . . . . 71.43 111.302 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.03 -30.52 55.76 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.618 -0.512 . . . . 61.01 109.618 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.577 ' HB2' HD11 ' A' ' 66' ' ' LEU . 31.5 ttt180 -58.12 -53.61 56.26 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.246 1.018 . . . . 71.13 109.506 174.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 74.8 mm-40 -52.97 -43.73 66.62 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.777 1.298 . . . . 73.14 110.914 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -61.56 -49.29 77.26 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.511 -1.222 . . . . 64.2 111.04 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.27 -39.31 94.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.171 0.588 . . . . 71.13 111.797 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.84 -32.73 72.62 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.431 0.693 . . . . 51.2 111.141 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.81 -45.6 60.98 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.972 0.509 . . . . 71.21 110.782 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.5 mt -71.14 -20.33 62.32 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.631 0.772 . . . . 62.31 111.163 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -60.55 -19.71 58.12 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.499 1.12 . . . . 71.44 112.503 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.79 -32.4 72.68 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.261 0.624 . . . . 64.3 111.774 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -23.61 10.63 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.754 0.422 . . . . 73.04 110.359 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.66 41.12 99.86 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 123.721 0.638 . . . . 32.03 112.621 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 p -69.54 165.63 20.62 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.232 0.613 . . . . 75.44 110.989 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.11 98.21 0.29 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.938 -1.028 . . . . 73.33 110.331 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 63.7 mt -91.13 106.17 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.167 -1.42 . . . . 73.52 107.167 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 50.0 t -103.03 102.45 13.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 114.491 -1.231 . . . . 41.12 108.121 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 69' ' ' ILE . 56.5 t -94.68 109.83 22.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 107.66 -1.237 . . . . 73.23 107.66 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -110.41 106.9 16.41 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.381 -0.97 . . . . 74.31 108.381 -173.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.604 HG11 ' HG3' ' A' ' 72' ' ' LYS . 90.1 t -102.27 117.91 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.517 1.127 . . . . 62.21 109.535 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 26.9 m-70 -118.13 116.23 26.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.454 0.702 . . . . 75.04 109.21 176.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.6 mt -126.98 122.55 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.257 0.623 . . . . 74.21 110.027 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 m120 63.95 -74.52 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.759 1.623 . . . . 64.31 110.679 -171.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.71 -3.9 0.18 Allowed Glycine 0 N--CA 1.473 1.136 0 CA-C-N 115.763 -0.653 . . . . 52.22 112.772 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -89.24 143.01 27.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.834 0.854 . . . . 72.51 109.512 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -116.62 153.44 32.27 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.859 0.863 . . . . 71.12 109.818 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -149.17 115.09 5.7 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.961 -0.563 . . . . 75.44 109.627 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -99.25 125.88 44.95 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.786 0.835 . . . . 74.33 109.284 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 mt -126.39 107.23 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 107.435 -1.321 . . . . 73.1 107.435 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.5 mtm105 -112.76 106.84 15.29 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.312 0.645 . . . . 74.51 110.176 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.476 HG11 HD21 ' A' ' 65' ' ' LEU . 30.9 m -118.72 144.51 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.748 1.219 . . . . 64.22 108.628 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -115.76 -92.15 0.52 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.161 0.437 . . . . 71.41 110.108 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -97.2 46.36 1.04 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.668 0.787 . . . . 72.51 109.469 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -59.44 165.24 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 115.149 -0.932 . . . . 74.31 111.52 172.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -78.75 164.54 24.47 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 120.972 0.415 . . . . 63.21 110.718 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.05 62.29 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.276 0.63 . . . . 71.32 111.992 -174.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -88.65 -25.61 22.31 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.626 0.77 . . . . 70.31 110.665 170.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.49 -28.7 66.29 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.067 0.547 . . . . 54.24 111.097 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.67 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.6 pp -69.0 -20.15 64.15 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 112.029 0.381 . . . . 74.43 112.029 176.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -66.48 -24.43 66.42 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.849 0.46 . . . . 71.0 110.568 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 13.5 mmmm -67.38 -24.89 65.74 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 123.715 0.806 . . . . 71.15 110.882 175.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.67 -46.17 73.12 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.2 -0.667 . . . . 71.25 109.2 174.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 26' ' ' ARG . 45.2 mt -61.44 -37.85 85.05 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.215 -0.902 . . . . 52.11 110.035 176.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.57 -38.25 90.34 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.916 1.286 . . . . 53.12 111.423 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 4.7 mmp_? -69.87 -49.1 55.63 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 116.303 -0.408 . . . . 73.21 110.093 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.507 HD11 HG11 ' A' ' 41' ' ' VAL . 79.8 mt -61.55 -43.62 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.477 0.711 . . . . 75.55 110.75 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HB3' HD11 ' A' ' 22' ' ' LEU . 13.4 ptm180 -64.63 -39.52 93.85 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 116.19 -0.459 . . . . 75.21 111.278 -176.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 2.3 pp20? -70.54 -21.25 62.74 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-O 119.344 -0.36 . . . . 74.14 110.547 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.604 ' HG3' HG11 ' A' ' 43' ' ' VAL . 70.3 mmtt -68.69 -58.49 4.16 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 107.611 -1.255 . . . . 74.24 107.611 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.15 -23.72 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 115.039 -0.982 . . . . 71.24 112.222 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -80.25 -49.75 11.16 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.856 0.862 . . . . 71.43 111.477 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 24.4 ptt180 -63.85 -37.79 88.69 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 120.992 0.425 . . . . 71.11 110.099 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -76.52 -48.55 19.07 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.841 0.857 . . . . 73.35 109.733 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.73 27.28 70.83 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.406 -0.816 . . . . 75.21 112.21 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.3 m -105.53 131.41 52.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.088 0.955 . . . . 74.12 110.039 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 m -77.75 -9.23 58.9 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.183 0.993 . . . . 65.5 111.031 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -79.94 79.92 6.41 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.514 -0.921 . . . . 74.2 108.514 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.7 141.51 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-O 121.454 0.645 . . . . 61.21 111.092 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 10.0 tp10 -135.41 137.6 42.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.382 1.473 . . . . 44.22 108.33 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 89.5 t -138.61 108.93 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 108.071 -1.085 . . . . 54.11 108.071 173.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -104.1 108.52 19.91 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.735 -0.839 . . . . 75.34 108.735 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 91' ' ' THR . 96.9 t -94.0 111.09 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.583 -0.895 . . . . 61.32 108.583 176.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 14.8 m-70 -100.39 144.7 29.08 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.208 1.003 . . . . 55.33 108.778 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.7 p -161.44 105.46 1.28 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.935 0.494 . . . . 73.25 110.463 172.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.54 16.04 58.11 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 116.005 1.162 . . . . 60.05 116.005 167.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.28 -12.61 6.03 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 117.42 0.61 . . . . 63.02 113.758 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -110.51 147.45 34.12 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 117.749 0.774 . . . . 63.32 111.252 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 96.7 m -139.44 129.61 25.24 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.65 0.78 . . . . 45.51 110.726 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.1 m-90 -110.73 127.29 55.27 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.086 0.954 . . . . 64.31 109.592 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 m -95.62 119.83 34.81 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.043 0.937 . . . . 63.13 109.295 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.563 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 79.0 m-85 -118.56 117.75 29.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.632 0.773 . . . . 74.43 109.193 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -125.39 160.0 30.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.074 0.95 . . . . 75.14 109.611 -175.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.59 145.62 51.51 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 109.605 -0.517 . . . . 42.51 109.605 169.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HZ3' ' HB2' ' A' ' 97' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.949 0 N-CA-C 108.082 -1.081 . . . . 71.51 108.082 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.922 -0.399 . . . . 73.02 109.922 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.19 64.47 0.44 Allowed Glycine 0 C--N 1.343 0.94 0 N-CA-C 110.916 -0.874 . . . . 74.14 110.916 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -56.04 -47.64 77.49 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.754 1.222 . . . . 74.23 112.019 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -127.61 48.39 2.25 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.103 0.954 . . . . 75.44 108.685 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -72.76 -57.34 4.17 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.704 -1.135 . . . . 62.53 109.251 173.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -85.81 146.53 26.72 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.546 -0.752 . . . . 71.14 110.535 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -101.92 105.45 16.25 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.052 -1.092 . . . . 75.1 108.052 172.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.87 -32.47 71.9 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.719 0.807 . . . . 72.23 110.086 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -80.65 132.58 35.61 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.694 -1.139 . . . . 70.12 110.096 174.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -134.72 150.94 50.65 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.989 0.516 . . . . 73.24 109.723 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.01 -39.46 29.92 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.37 0.668 . . . . 65.1 111.863 -172.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -118.18 112.59 20.35 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.794 0.838 . . . . 73.35 109.176 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -74.33 -52.47 12.13 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 122.101 -0.375 . . . . 70.34 110.348 177.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -156.7 152.71 27.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.744 0.818 . . . . 73.3 109.571 -174.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -132.35 -165.17 1.56 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.148 0.979 . . . . 73.11 108.558 173.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -68.03 -38.51 82.63 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.55 -0.537 . . . . 63.32 109.55 167.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.569 ' HG2' ' HB2' ' A' ' 20' ' ' GLU . 45.8 ttm 57.07 39.19 29.34 Favored 'General case' 0 C--N 1.364 1.209 0 O-C-N 124.527 1.142 . . . . 74.25 109.239 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 9.7 m -52.78 -57.09 11.3 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.292 -1.322 . . . . 71.14 114.077 -157.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.8 -31.54 72.57 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.727 0.411 . . . . 52.31 111.551 -173.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.569 ' HB2' ' HG2' ' A' ' 17' ' ' MET . 33.8 mm-40 -72.62 -45.23 60.08 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.118 0.567 . . . . 73.43 110.747 176.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' HD13 ' A' ' 25' ' ' LEU . 58.8 tp -55.15 -54.42 43.47 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 124.522 1.129 . . . . 73.22 109.7 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' A' ' 70' ' ' ARG . 75.3 mt -65.25 -33.93 77.16 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.492 -0.776 . . . . 65.4 111.484 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 35.4 tt0 -57.63 -44.04 85.26 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.486 0.714 . . . . 75.41 110.331 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -60.24 -33.93 72.98 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 124.132 0.895 . . . . 72.51 110.816 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 21' ' ' LEU . 9.1 mp -80.83 -32.72 35.03 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.538 -0.755 . . . . 74.4 110.001 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -65.38 -47.33 76.73 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 123.572 0.749 . . . . 63.14 109.529 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 13.1 mm100 -54.62 -40.8 69.29 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.639 1.212 . . . . 71.01 110.351 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.7 tp -71.01 -42.01 70.13 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 115.202 -0.908 . . . . 74.33 111.272 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.531 ' HB2' HD13 ' A' ' 62' ' ' LEU . 22.3 m-85 -66.77 -35.64 80.56 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.717 0.407 . . . . 71.01 110.227 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.6 -40.17 92.39 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.918 0.887 . . . . 70.12 110.092 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 11.1 tp10 -60.99 -45.36 95.11 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.977 0.911 . . . . 74.53 110.385 177.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 35' ' ' ARG . 65.1 mt -80.0 -23.71 41.36 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.137 0.575 . . . . 62.51 111.455 -176.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -57.31 -40.49 77.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.393 1.077 . . . . 61.34 111.656 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 9.5 pt-20 -65.98 -23.21 66.54 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.543 0.572 . . . . 74.25 112.543 -175.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -101.07 -17.48 16.68 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 122.12 -0.363 . . . . 61.31 110.775 175.761 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.51 30.94 72.99 Favored Glycine 0 C--N 1.352 1.442 0 O-C-N 123.863 0.727 . . . . 12.25 114.253 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 t -80.83 149.86 29.38 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.352 0.661 . . . . 65.13 109.609 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 7.4 pt-20 -68.61 117.05 9.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.648 0.737 . . . . 73.41 111.685 -174.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.561 HD12 HD11 ' A' ' 57' ' ' ILE . 62.1 mt -97.53 130.44 46.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.413 1.485 . . . . 63.02 109.86 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 38.8 t -105.52 109.95 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.606 -0.886 . . . . 74.43 108.606 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.3 t -92.48 110.56 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.824 -1.176 . . . . 42.24 107.824 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -118.44 104.87 11.11 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.586 -0.524 . . . . 71.04 109.586 -172.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 27.6 t -95.15 103.18 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.194 0.998 . . . . 43.2 109.431 -175.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -99.18 111.52 23.89 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.762 1.225 . . . . 72.52 109.758 176.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.469 HG21 ' HG3' ' A' ' 76' ' ' GLU . 49.1 mt -132.09 121.25 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 109.307 -0.627 . . . . 64.24 109.307 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 m120 58.21 37.01 26.18 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.808 1.243 . . . . 72.42 112.9 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.96 -7.86 79.93 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 116.14 -0.482 . . . . 70.1 113.754 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -90.5 147.82 23.14 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.386 0.675 . . . . 61.42 110.528 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -107.2 144.67 33.63 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.045 1.338 . . . . 63.11 110.093 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.527 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 33.9 t70 -138.68 110.88 7.36 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.569 -0.9 . . . . 55.3 108.569 171.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -102.44 122.64 44.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.257 0.623 . . . . 54.42 109.857 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.81 107.52 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 107.84 -1.17 . . . . 63.54 107.84 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' HG2' HG13 ' A' ' 40' ' ' VAL . 27.8 mtp-105 -102.26 142.25 33.78 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.696 -0.483 . . . . 50.51 109.696 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.35 151.75 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.095 1.358 . . . . 54.34 108.442 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 42.8 mtp180 -105.95 -67.57 0.92 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.545 0.338 . . . . 65.11 110.382 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -117.24 103.59 10.32 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.792 0.837 . . . . 74.54 109.453 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 39' ' ' ILE . 1.1 pp -117.29 119.0 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.979 0.912 . . . . 71.33 110.162 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m -65.6 177.57 1.18 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.958 0.903 . . . . 61.24 112.372 -174.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -37.18 78.79 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.514 0.725 . . . . 72.51 112.909 -168.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.611 ' HA ' ' HE2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -89.92 -31.88 17.09 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.952 0.501 . . . . 73.23 110.691 175.348 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HG3' HG22 ' A' ' 57' ' ' ILE . 17.0 tp10 -68.03 -28.53 67.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.732 0.813 . . . . 62.45 111.641 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.4 pp -70.73 -27.22 63.8 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.91 0.484 . . . . 75.03 110.558 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.611 ' HE2' ' HA ' ' A' ' 60' ' ' GLU . 45.3 mtmt -69.49 -20.54 63.73 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 115.416 -0.811 . . . . 72.04 110.525 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 31.4 mmmt -70.48 -21.64 62.75 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.083 0.553 . . . . 74.23 110.412 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.1 mm? -69.83 -54.13 14.99 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.093 0.557 . . . . 73.35 110.416 176.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' A' ' 69' ' ' ILE . 3.7 pp -69.37 -19.7 63.83 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.704 -0.68 . . . . 72.33 111.384 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 25.9 tt0 -69.49 -44.17 71.64 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.454 0.702 . . . . 71.31 110.013 171.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 6.2 mmp_? -59.65 -37.22 78.14 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.497 0.319 . . . . 71.55 110.899 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 66' ' ' LEU . 78.5 mt -64.34 -46.8 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.121 0.969 . . . . 54.32 110.697 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.644 ' HB3' HD11 ' A' ' 22' ' ' LEU . 29.2 ptt180 -63.17 -33.18 74.91 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 123.618 0.574 . . . . 75.21 110.298 -177.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 32.6 mm-40 -59.16 -40.72 86.46 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 123.863 0.727 . . . . 74.1 110.046 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 22.8 mmtp -74.04 -49.19 25.3 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 123.827 0.704 . . . . 63.13 109.592 -174.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.2 pp -64.39 -32.55 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.465 0.478 . . . . 74.12 111.331 -173.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -78.29 -38.68 41.94 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.629 0.772 . . . . 74.52 110.935 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -63.37 -42.07 98.84 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.568 0.747 . . . . 72.24 111.11 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 27.5 mm-40 -69.85 -45.3 68.05 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.564 -0.743 . . . . 74.21 109.961 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.92 -24.74 6.47 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 115.623 -0.717 . . . . 73.45 112.664 -175.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 m -73.48 135.25 44.06 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.286 1.035 . . . . 61.22 110.893 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m -74.43 -20.08 60.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.109 0.964 . . . . 71.13 111.763 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -72.99 84.71 1.27 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.615 0.766 . . . . 72.12 109.794 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.5 m -127.91 145.0 35.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 123.916 0.886 . . . . 72.45 109.884 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HG3' ' HB3' ' A' ' 95' ' ' ASN . 32.2 tt0 -142.97 108.01 4.94 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.886 0.874 . . . . 63.21 109.846 -177.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.39 114.3 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.18 0.592 . . . . 63.12 109.461 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -102.37 106.66 17.47 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 107.193 -1.41 . . . . 74.34 107.193 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.37 107.81 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 108.893 -0.78 . . . . 74.43 108.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.5 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 46.4 m-70 -96.52 144.92 26.16 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.524 -1.287 . . . . 74.1 107.524 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -161.06 108.95 1.52 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.672 -0.862 . . . . 72.53 108.672 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.6 -94.31 0.34 Allowed Glycine 0 C--N 1.351 1.407 0 N-CA-C 111.675 -0.57 . . . . 62.25 111.675 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.12 3.1 4.81 Favored Glycine 0 N--CA 1.474 1.183 0 C-N-CA 123.496 0.569 . . . . 64.55 112.133 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -94.08 145.89 24.35 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.854 0.861 . . . . 73.3 110.331 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.2 m -141.59 129.45 21.8 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.118 0.567 . . . . 75.55 110.449 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 22.4 m-90 -111.82 115.64 29.37 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.435 1.094 . . . . 75.31 108.494 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.1 p -97.91 102.28 13.99 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.889 0.476 . . . . 62.42 109.722 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.99 107.06 18.94 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.002 -1.11 . . . . 74.25 108.002 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.499 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . 3.8 p30 -128.63 122.18 30.32 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 109.017 -0.734 . . . . 75.13 109.017 -177.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -73.99 156.27 37.74 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.004 0.521 . . . . 64.03 110.493 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt . . . . . 0 CA--C 1.548 0.895 0 C-N-CA 124.29 1.036 . . . . 73.43 110.84 -173.006 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 110.207 -0.294 . . . . 62.22 110.207 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.63 -57.67 4.12 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-N 116.482 -0.326 . . . . 75.31 113.539 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -89.54 50.49 1.92 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.896 0.879 . . . . 75.13 111.238 -170.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -64.88 -20.89 66.67 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.435 0.294 . . . . 73.21 111.765 -177.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -73.21 121.46 20.35 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.007 -1.108 . . . . 72.22 108.007 169.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -131.57 137.71 48.56 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.309 0.644 . . . . 73.31 110.635 -170.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -70.68 145.11 50.78 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.157 0.583 . . . . 71.24 110.059 176.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -137.59 126.47 24.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.385 0.674 . . . . 74.31 109.596 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.69 -58.07 4.03 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.176 0.99 . . . . 74.42 109.75 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -161.03 121.87 2.84 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 124.336 1.054 . . . . 73.22 108.818 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -83.43 90.53 7.2 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.026 -1.101 . . . . 72.25 108.026 173.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -143.91 140.96 30.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.467 -0.788 . . . . 73.21 109.401 174.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -152.31 162.25 41.43 Favored 'General case' 0 C--O 1.246 0.888 0 C-N-CA 124.097 0.959 . . . . 72.51 109.234 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -113.26 122.57 47.86 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 123.703 0.801 . . . . 64.41 109.148 173.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.442 ' HB3' ' HB3' ' A' ' 96' ' ' GLU . 31.7 t -70.43 111.83 6.27 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 107.944 -1.132 . . . . 75.3 107.944 174.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -124.82 -5.14 7.52 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.019 -0.991 . . . . 72.55 110.504 -167.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.3 ttt -154.3 153.74 32.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.942 0.897 . . . . 74.04 109.568 -171.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.593 HG21 ' HB2' ' A' ' 70' ' ' ARG . 46.2 p -63.91 97.18 0.16 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.051 0.94 . . . . 73.02 111.366 176.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -144.09 99.25 3.36 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.222 -1.029 . . . . 70.44 108.222 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 65.31 15.08 9.83 Favored 'General case' 0 CA--C 1.57 1.721 0 C-N-CA 124.582 1.153 . . . . 42.22 110.488 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -91.0 -51.69 5.22 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.597 1.159 . . . . 50.25 109.233 -172.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 70' ' ' ARG . 87.4 mt -61.34 -33.37 73.51 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.568 0.747 . . . . 70.42 111.919 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 36.1 tp10 -49.94 -45.44 51.22 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 124.796 1.31 . . . . 74.54 110.799 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HB2' HD12 ' A' ' 25' ' ' LEU . 8.6 mmm180 -57.93 -37.28 73.81 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.643 1.215 . . . . 75.52 111.652 -177.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 24' ' ' ARG . 6.2 mp -85.41 -36.29 20.76 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.558 -0.746 . . . . 74.12 109.701 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HB2' HD13 ' A' ' 66' ' ' LEU . 8.4 tmm_? -68.41 -37.97 80.82 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.707 0.803 . . . . 60.33 110.393 -175.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 88.7 mm-40 -61.94 -36.47 81.48 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.875 0.734 . . . . 75.32 110.656 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.5 -42.34 74.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.266 0.626 . . . . 70.1 110.626 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -63.6 -39.06 93.41 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.78 0.432 . . . . 73.24 111.171 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.34 -38.51 87.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.482 0.713 . . . . 75.2 110.51 174.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -67.04 -33.71 76.12 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.158 -0.928 . . . . 70.2 110.798 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 86.4 mt -87.99 -17.88 30.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.539 0.736 . . . . 72.41 110.758 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -58.79 -35.01 72.14 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.053 0.941 . . . . 73.23 112.213 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.93 -24.4 62.44 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.415 0.524 . . . . 62.41 112.415 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 ptm180 -97.79 -27.51 14.28 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.215 0.206 . . . . 72.42 110.913 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.11 83.07 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 113.936 0.334 . . . . 52.43 113.936 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -77.12 169.81 17.66 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.004 0.922 . . . . 74.21 110.488 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 5.9 pt-20 -71.59 100.92 2.38 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.059 0.933 . . . . 75.41 110.252 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 39.5 mt -93.69 106.87 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 107.895 -1.15 . . . . 64.21 107.895 176.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 53' ' ' ARG . 47.9 t -102.3 103.54 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.062 -1.088 . . . . 74.53 108.062 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 69' ' ' ILE . 78.6 t -103.28 117.08 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.999 -0.741 . . . . 72.34 108.999 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 28.6 tt0 -127.1 114.64 18.0 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.954 0.407 . . . . 71.33 110.795 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 t -88.93 114.34 26.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.415 1.086 . . . . 64.22 109.868 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -99.07 105.29 17.38 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.668 0.787 . . . . 75.43 109.453 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.608 HD12 ' HB3' ' A' ' 72' ' ' LYS . 12.3 mt -134.91 120.6 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 123.633 0.773 . . . . 61.11 109.532 177.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.1 m120 54.8 23.16 4.66 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.024 1.33 . . . . 74.33 113.933 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.98 -25.25 16.97 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-O 120.115 -0.269 . . . . 65.23 112.714 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -83.26 147.16 28.15 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.252 0.621 . . . . 64.55 110.742 -175.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -126.02 112.84 16.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.875 0.87 . . . . 75.11 110.139 -175.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.566 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 25.1 t70 -89.67 107.27 18.99 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.443 -1.317 . . . . 74.21 107.443 172.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -103.07 118.07 35.98 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.243 -0.651 . . . . 61.34 109.243 -173.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.5 mt -127.82 133.77 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 N-CA-C 107.859 -1.163 . . . . 72.24 107.859 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' HG13 ' A' ' 40' ' ' VAL . 23.8 mtp180 -128.31 105.9 8.65 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.699 -0.852 . . . . 73.42 108.699 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.6 m -111.8 152.01 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.433 1.093 . . . . 74.54 108.593 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 76.5 mtt180 -127.62 -85.75 0.59 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.08 0.4 . . . . 63.5 109.942 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.17 83.19 6.5 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 108.225 -1.028 . . . . 75.11 108.225 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.559 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.6 pp -109.31 164.82 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 114.949 -1.023 . . . . 53.42 110.52 177.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.2 m -105.21 -178.36 3.63 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.871 0.868 . . . . 60.24 110.16 177.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.88 85.59 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 113.396 0.887 . . . . 72.31 113.396 -170.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.3 -28.41 25.31 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 118.08 0.4 . . . . 73.02 110.487 178.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.54 -44.1 95.18 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.888 -0.596 . . . . 75.2 111.241 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.626 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.4 pp -68.11 -23.91 64.97 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 122.504 0.322 . . . . 72.33 111.031 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HA ' HD21 ' A' ' 66' ' ' LEU . 98.2 mttt -64.32 -28.91 70.04 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 115.949 -0.569 . . . . 74.53 111.004 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -65.04 -20.75 66.64 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 123.503 0.502 . . . . 23.23 111.433 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.85 -59.5 3.25 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.9 0.48 . . . . 72.24 109.731 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.613 ' HA ' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -68.7 -19.02 64.36 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 119.136 -0.459 . . . . 55.24 111.922 178.78 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 11.9 mm-40 -64.97 -50.73 65.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.013 0.525 . . . . 74.44 110.457 170.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 2.0 mmp_? -58.76 -40.97 85.46 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.756 0.422 . . . . 73.41 110.867 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 66' ' ' LEU . 70.6 mt -63.13 -51.16 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.52 1.128 . . . . 72.24 111.066 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HB2' HG21 ' A' ' 18' ' ' THR . 4.1 ppt_? -66.22 -29.69 70.0 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 115.843 -0.617 . . . . 72.4 110.901 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 40.9 mt-10 -62.83 -40.79 98.51 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.251 0.97 . . . . 73.55 109.194 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.608 ' HB3' HD12 ' A' ' 45' ' ' ILE . 44.8 mmtm -65.88 -53.45 39.45 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.084 0.865 . . . . 73.31 109.785 -175.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.1 pt -73.82 -25.75 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 N-CA-C 112.913 0.709 . . . . 62.11 112.913 -173.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.17 -39.36 41.11 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 117.836 0.289 . . . . 61.43 110.482 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -79.52 -36.85 37.84 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 120.556 0.217 . . . . 74.4 110.429 -176.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -71.41 -57.63 4.26 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.59 0.756 . . . . 65.02 109.758 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.82 -48.83 3.74 Favored Glycine 0 C--N 1.339 0.745 0 CA-C-N 115.822 -0.626 . . . . 52.51 111.989 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.1 m -52.44 118.33 3.5 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.966 0.906 . . . . 74.21 111.381 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.1 m -72.98 77.75 1.18 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.001 0.92 . . . . 72.14 110.579 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -153.53 85.39 1.19 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.523 -1.288 . . . . 73.32 107.523 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.38 129.34 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.659 -0.7 . . . . 75.21 110.263 -175.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -131.02 106.14 8.2 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.325 -0.991 . . . . 71.12 108.325 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.4 t -98.54 111.89 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 108.231 -1.025 . . . . 75.34 108.231 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.25 106.25 17.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.454 -1.313 . . . . 73.03 107.454 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 66.9 t -97.49 111.98 28.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 N-CA-C 107.773 -1.195 . . . . 62.03 107.773 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.506 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 27.2 m-70 -106.27 142.64 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.92 -1.141 . . . . 62.23 107.92 -177.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p -159.95 103.05 1.48 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.423 -0.584 . . . . 62.45 109.423 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 51.99 58.02 11.52 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 123.697 0.623 . . . . 72.1 113.645 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.25 -30.61 5.11 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-O 119.75 -0.472 . . . . 71.45 114.035 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -84.79 130.36 34.69 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.572 0.749 . . . . 54.41 110.69 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.1 m -134.43 128.02 32.69 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 118.421 0.555 . . . . 75.35 111.431 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -112.28 119.1 37.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.832 1.253 . . . . 75.15 108.928 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.3 p -95.58 102.57 14.39 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.47 -0.567 . . . . 72.13 109.47 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.5 130.39 35.84 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.159 0.984 . . . . 75.43 109.596 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -140.73 141.6 34.88 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 123.029 0.532 . . . . 74.44 110.214 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 15' ' ' SER . 40.0 mt-10 -76.71 112.55 13.4 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.517 -0.765 . . . . 72.24 109.291 172.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.125 0 N-CA-C 107.918 -1.141 . . . . 71.23 107.918 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.455 -0.572 . . . . 73.32 109.455 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.23 141.85 5.94 Favored Glycine 0 C--N 1.339 0.737 0 CA-C-N 115.443 -0.799 . . . . 74.32 111.161 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -141.29 121.01 13.43 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.44 0.696 . . . . 74.12 109.441 -177.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -136.27 99.76 4.2 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.109 -1.071 . . . . 74.32 108.109 174.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -93.35 -177.69 4.51 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.387 0.675 . . . . 54.15 109.683 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.96 147.45 43.04 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.182 0.515 . . . . 62.24 110.925 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -88.12 3.87 47.54 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.562 1.145 . . . . 73.34 111.153 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 55.32 25.09 7.12 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.006 1.722 . . . . 73.05 111.737 -170.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.95 -23.84 67.34 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 115.226 -0.897 . . . . 74.21 109.878 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -47.01 -39.85 13.45 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.475 1.51 . . . . 70.51 111.244 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp 56.3 58.34 4.34 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.726 1.266 . . . . 72.04 109.815 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -73.22 97.81 2.5 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.46 -1.246 . . . . 72.13 109.093 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -96.04 46.14 1.08 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.303 -0.999 . . . . 70.15 108.303 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -83.53 76.63 9.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.22 -0.9 . . . . 64.2 108.705 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.3 m -145.26 96.23 2.8 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 113.962 -1.472 . . . . 61.01 108.824 -173.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -95.59 -32.32 12.87 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.065 -1.087 . . . . 61.51 108.065 173.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.419 ' SD ' HD12 ' A' ' 22' ' ' LEU . 13.1 tmm? 62.57 90.38 0.08 Allowed 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.693 1.597 . . . . 71.25 110.316 174.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -56.5 -25.49 51.51 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.293 1.037 . . . . 75.2 113.002 -171.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.4 t70 75.65 -65.71 0.31 Allowed 'General case' 0 C--N 1.359 0.987 0 C-N-CA 125.307 1.443 . . . . 65.15 112.586 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.63 -68.71 0.16 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.155 1.382 . . . . 62.55 112.911 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.51 -18.83 62.26 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.067 0.547 . . . . 70.3 112.246 -174.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.586 ' HB3' HD13 ' A' ' 66' ' ' LEU . 55.3 mt -65.38 -44.66 86.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.142 0.577 . . . . 70.13 110.871 -178.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 35.1 tt0 -56.18 -42.2 76.74 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.77 0.669 . . . . 54.42 110.676 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -61.68 -34.79 76.36 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.202 -0.908 . . . . 75.34 110.909 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.5 mt -75.59 -42.05 53.0 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.308 0.643 . . . . 75.55 109.447 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -55.54 -44.53 76.84 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 114.885 -1.052 . . . . 72.12 111.229 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.1 mm-40 -59.42 -39.06 82.28 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.961 0.788 . . . . 74.33 111.57 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.65 -44.75 69.94 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.265 0.353 . . . . 71.2 110.781 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.575 ' HB2' HD13 ' A' ' 62' ' ' LEU . 19.4 m-85 -63.69 -36.54 84.2 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.306 -0.406 . . . . 75.35 110.786 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -72.14 -28.75 63.46 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.501 0.72 . . . . 53.41 110.653 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -64.28 -36.86 85.46 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.227 0.611 . . . . 70.44 109.889 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD21 ' CH2' ' A' ' 92' ' ' TRP . 69.9 mt -77.54 -29.91 52.54 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.282 1.033 . . . . 64.12 111.701 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -56.35 -20.48 19.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.676 1.19 . . . . 61.31 112.947 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.36 -40.22 64.79 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.271 0.628 . . . . 75.33 112.056 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 37' ' ' THR . 3.1 ptm180 -117.97 -0.63 11.63 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.592 1.157 . . . . 61.21 110.268 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.42 -66.77 2.62 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.482 -0.781 . . . . 73.33 112.127 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.487 HG23 ' HG3' ' A' ' 35' ' ' ARG . 73.1 p 50.47 171.12 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.353 1.861 . . . . 51.4 114.971 -177.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 11.4 pt-20 -106.98 105.36 15.35 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.771 -1.104 . . . . 72.51 109.273 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.7 mt -94.71 110.45 23.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 116.023 -0.535 . . . . 64.13 109.564 -172.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -102.86 104.99 17.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 107.833 -1.173 . . . . 61.13 107.833 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.521 HG11 HD11 ' A' ' 69' ' ' ILE . 57.5 t -94.8 116.7 36.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 108.888 -0.782 . . . . 62.24 108.888 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 44.4 tt0 -111.09 106.94 16.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.617 0.767 . . . . 74.54 109.25 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.47 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 43.2 t -96.9 105.56 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.374 0.67 . . . . 60.3 109.543 -174.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.639 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 65.5 m170 -86.8 108.03 18.55 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.728 0.811 . . . . 72.33 109.293 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.4 mt -127.38 123.65 62.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 124.061 0.944 . . . . 73.23 109.144 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 m120 61.64 27.31 16.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.0 0.92 . . . . 75.34 112.22 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.26 -23.19 35.89 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 116.072 -0.513 . . . . 54.32 113.159 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -81.49 136.22 35.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.039 0.936 . . . . 64.33 111.516 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -93.54 116.01 28.52 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.367 0.603 . . . . 73.12 109.94 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 20.5 t70 -89.12 135.33 33.62 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 107.866 -1.161 . . . . 74.51 107.866 171.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -116.22 122.34 44.71 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.299 0.499 . . . . 71.13 110.886 -175.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -121.65 127.57 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 107.419 -1.326 . . . . 64.05 107.419 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -122.38 128.21 50.68 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 118.327 0.512 . . . . 75.4 109.934 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.9 142.77 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.007 -1.108 . . . . 74.43 108.007 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 33.8 mtp-105 -133.41 110.47 10.03 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.305 0.502 . . . . 62.14 110.913 -174.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.4 m120 61.18 87.76 0.09 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.042 1.337 . . . . 74.05 111.591 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.503 ' HB ' ' HB2' ' A' ' 61' ' ' GLU . 1.3 pp -139.9 172.01 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.104 0.961 . . . . 61.25 111.003 -173.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -86.26 175.29 8.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.991 0.917 . . . . 75.11 111.712 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 25.0 pttm -59.63 -33.78 71.94 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.403 0.681 . . . . 53.0 111.412 178.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 14.3 pt-20 -77.24 -26.13 52.27 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.041 0.536 . . . . 70.25 111.714 -177.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HB2' ' HB ' ' A' ' 57' ' ' ILE . 38.4 mm-40 -90.66 -26.48 19.58 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.663 0.616 . . . . 74.23 112.663 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 29' ' ' PHE . 4.3 pp -73.34 -20.35 60.8 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.741 -0.466 . . . . 70.31 109.741 171.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 60' ' ' GLU . 9.4 mtmp? -57.42 -34.73 69.22 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-N 115.965 -0.561 . . . . 75.42 109.714 168.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 30.9 mmtp -59.62 -23.57 63.1 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.725 0.41 . . . . 73.21 111.108 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' HG13 ' A' ' 69' ' ' ILE . 90.7 mt -70.72 -51.64 26.14 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.556 0.743 . . . . 64.14 110.823 177.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.3 pp -74.34 -19.43 60.46 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.101 0.561 . . . . 75.21 111.521 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 44.6 mt-10 -79.0 -30.93 44.55 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.634 0.773 . . . . 63.24 109.613 173.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 15.2 mmt180 -63.68 -45.65 89.11 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.748 -0.464 . . . . 54.23 109.748 167.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.521 HD11 HG11 ' A' ' 41' ' ' VAL . 78.2 mt -65.66 -35.62 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.98 0.912 . . . . 71.53 110.868 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 9.9 ptt180 -64.9 -35.67 81.88 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.585 -0.524 . . . . 63.11 109.585 -178.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 46.4 mt-10 -61.52 -32.81 72.87 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.427 0.632 . . . . 72.05 109.684 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 23.8 mmtp -76.83 -47.78 20.43 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.372 -0.831 . . . . 70.44 110.174 -174.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.25 -19.86 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 116.669 -0.241 . . . . 64.5 111.579 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -83.87 -56.56 3.63 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.269 0.627 . . . . 72.22 111.96 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -79.39 -46.51 17.45 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.642 0.377 . . . . 72.13 110.443 -171.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 1.2 mp0 -77.04 -46.97 21.91 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.047 -0.723 . . . . 72.41 109.047 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.71 30.28 65.56 Favored Glycine 0 C--N 1.352 1.437 0 O-C-N 123.612 0.57 . . . . 73.24 113.933 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.1 m -90.93 130.48 36.86 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.268 0.627 . . . . 32.34 110.187 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 m -71.63 -27.43 63.09 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.717 0.807 . . . . 31.24 110.657 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -81.79 74.26 8.78 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.49 1.138 . . . . 73.44 109.084 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.02 133.84 67.14 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.242 -1.345 . . . . 70.54 108.846 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 35.4 tt0 -138.83 109.47 6.61 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.636 0.774 . . . . 74.21 109.319 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.15 111.55 25.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.541 -0.911 . . . . 70.5 108.541 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 25.5 m-80 -106.45 107.5 18.54 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.236 1.014 . . . . 73.54 108.316 -176.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.4 t -94.18 114.71 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.932 -0.766 . . . . 63.44 108.932 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -107.49 140.49 40.38 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 107.693 -1.225 . . . . 63.34 107.693 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 32.5 p -159.11 103.93 1.67 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 122.957 0.503 . . . . 44.03 110.368 177.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.08 29.52 71.21 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 115.676 -0.693 . . . . 74.13 114.127 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.16 -27.63 11.48 Favored Glycine 0 C--N 1.345 1.062 0 C-N-CA 122.918 0.294 . . . . 54.42 113.114 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -79.82 142.72 35.03 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.124 0.57 . . . . 65.13 110.109 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.7 m -137.04 140.45 42.07 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.622 0.769 . . . . 74.22 110.893 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.511 ' CH2' HD21 ' A' ' 32' ' ' LEU . 28.0 m-90 -132.0 115.77 16.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.363 1.065 . . . . 74.32 108.256 173.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 p -96.03 104.22 16.15 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.611 -0.514 . . . . 74.0 109.611 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -99.86 132.59 45.12 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.485 -0.931 . . . . 72.34 108.485 175.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -141.61 158.68 43.53 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.332 0.653 . . . . 54.3 109.598 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.76 129.51 41.35 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.987 -0.746 . . . . 64.11 108.987 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.817 0 C-N-CA 123.866 0.867 . . . . 74.04 110.623 -174.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.523 0.201 . . . . 72.13 110.803 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.42 101.51 0.16 Allowed Glycine 0 C--N 1.347 1.171 0 N-CA-C 111.903 -0.479 . . . . 73.21 111.903 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.09 164.64 27.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.499 1.119 . . . . 74.13 109.458 177.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -111.96 138.84 48.05 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.935 0.894 . . . . 72.05 108.697 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -112.1 105.06 13.34 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.633 0.773 . . . . 73.3 109.159 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -113.05 94.57 4.96 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.555 0.742 . . . . 72.24 109.219 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -91.05 153.96 19.74 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 107.06 -1.459 . . . . 64.22 107.06 167.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 67.31 110.95 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.879 0.872 . . . . 74.32 108.842 -161.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.05 -28.04 68.54 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.874 0.869 . . . . 72.52 112.905 -167.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.2 t30 65.52 19.96 11.6 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 123.992 0.917 . . . . 63.12 111.362 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.5 mt -90.99 63.89 5.27 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.424 0.689 . . . . 75.12 110.138 -177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -84.71 -63.51 1.32 Allowed 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.875 -0.787 . . . . 65.32 108.875 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -100.81 -80.1 0.49 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 108.121 -1.066 . . . . 52.35 108.121 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 69.49 -30.17 0.19 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.946 1.698 . . . . 75.33 115.073 170.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.4 p -66.72 -26.15 66.87 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.239 1.016 . . . . 74.54 112.215 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -116.83 26.51 9.78 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.904 0.859 . . . . 72.22 109.498 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.425 ' HG2' ' H ' ' A' ' 19' ' ' ASP . 49.2 ttm -116.47 131.3 56.98 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 107.503 -1.295 . . . . 74.11 107.503 174.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.55 ' HA ' HD13 ' A' ' 21' ' ' LEU . 38.5 p -65.34 -18.88 65.66 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.51 0.559 . . . . 65.53 112.51 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.425 ' H ' ' HG2' ' A' ' 17' ' ' MET . 29.4 t70 -55.03 -39.57 69.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.958 0.903 . . . . 74.41 111.341 -178.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.34 -52.39 65.78 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.284 0.633 . . . . 73.32 110.07 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.55 HD13 ' HA ' ' A' ' 18' ' ' THR . 5.2 mp -61.27 -52.22 65.62 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 114.523 -1.217 . . . . 72.13 110.031 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 70' ' ' ARG . 85.4 mt -68.83 -36.4 78.14 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 113.925 -1.489 . . . . 74.23 110.963 -173.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 13.7 tm-20 -59.73 -38.13 80.82 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.853 0.861 . . . . 74.32 110.73 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -65.03 -34.44 78.44 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.399 0.68 . . . . 65.21 111.359 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.0 -34.18 57.51 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 109.078 -0.712 . . . . 74.02 109.078 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HG3' HD11 ' A' ' 66' ' ' LEU . 26.9 ttp180 -64.01 -40.75 97.06 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.997 1.319 . . . . 73.33 109.717 -174.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 12.2 mm100 -53.34 -53.67 47.64 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.68 1.237 . . . . 65.34 109.691 176.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.32 -41.03 92.66 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 114.517 -1.22 . . . . 61.24 111.548 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 23.1 m-85 -66.84 -39.55 87.67 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.407 -0.361 . . . . 74.33 111.235 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.98 -36.1 82.4 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.944 0.898 . . . . 74.3 110.81 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 15.9 mm-40 -65.49 -54.49 27.58 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.841 0.713 . . . . 73.24 110.64 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' HB3' HG22 ' A' ' 37' ' ' THR . 85.7 mt -70.0 -25.22 63.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.531 0.732 . . . . 75.33 111.332 -176.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.464 ' NE2' ' HA ' ' A' ' 58' ' ' SER . 9.8 t-80 -55.88 -24.56 37.85 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.974 1.309 . . . . 74.22 112.405 175.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.97 -36.74 40.59 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.212 0.605 . . . . 71.44 111.567 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -20.34 10.56 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.784 0.433 . . . . 73.33 110.36 174.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.37 55.78 14.24 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.91 -0.587 . . . . 53.4 112.262 -174.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 32' ' ' LEU . 14.1 t -69.82 159.95 32.66 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.141 0.577 . . . . 32.32 110.521 177.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.59 100.66 1.48 Allowed 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 121.888 0.851 . . . . 65.31 110.654 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.67 HD12 HD11 ' A' ' 57' ' ' ILE . 44.4 mt -95.29 110.04 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 124.234 1.014 . . . . 60.13 109.442 178.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.47 103.81 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 108.005 -1.109 . . . . 63.41 108.005 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.6 t -93.9 112.28 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 107.251 -1.389 . . . . 73.43 107.251 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 42.1 tt0 -116.05 108.18 15.88 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.528 0.68 . . . . 73.25 109.902 -172.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.496 HG11 ' HG3' ' A' ' 72' ' ' LYS . 57.5 t -91.69 105.75 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 124.834 1.254 . . . . 74.2 109.724 -174.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.581 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 33.0 m170 -92.75 100.28 12.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.04 0.936 . . . . 75.54 109.546 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.544 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 18.4 mt -128.53 128.88 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 109.676 -0.49 . . . . 71.13 109.676 175.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.454 ' OD1' HG22 ' A' ' 45' ' ' ILE . 28.0 m120 63.04 21.78 13.08 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 125.021 1.328 . . . . 73.11 111.718 -176.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.88 -17.42 56.69 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 116.502 -0.317 . . . . 72.53 112.59 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -80.33 144.64 32.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.274 1.03 . . . . 74.34 110.395 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -108.15 137.0 46.89 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 123.537 0.735 . . . . 73.3 109.996 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.447 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 34.0 t70 -123.62 113.82 19.18 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.204 -1.036 . . . . 73.0 108.204 171.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.52 127.01 43.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.505 0.722 . . . . 61.22 109.182 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.15 111.45 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.022 -1.103 . . . . 72.23 108.022 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -100.79 106.12 17.49 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.213 0.53 . . . . 74.51 110.122 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.85 153.89 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.939 1.296 . . . . 62.21 108.112 174.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mtp-105 -121.02 -77.6 0.59 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.205 0.526 . . . . 73.11 110.044 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -98.46 41.23 1.14 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.268 -0.878 . . . . 74.4 110.059 -164.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.67 HD11 HD12 ' A' ' 39' ' ' ILE . 1.6 pp -62.87 114.98 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 114.905 -1.043 . . . . 45.51 111.391 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.464 ' HA ' ' NE2' ' A' ' 33' ' ' HIS . 49.9 m -77.46 -173.45 2.92 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.256 -0.883 . . . . 72.34 111.919 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -53.29 -44.83 68.59 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 113.18 0.807 . . . . 71.35 113.18 -171.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.17 -29.89 21.43 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.59 0.756 . . . . 64.41 110.909 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -71.93 -30.16 65.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.334 0.654 . . . . 52.01 112.415 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.3 pp -75.51 -25.32 57.16 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.204 0.526 . . . . 53.22 109.99 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 8.5 mtpt -60.86 -25.84 66.94 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 115.07 -0.968 . . . . 62.43 111.205 171.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 31.0 mmmt -58.52 -34.62 71.16 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 123.443 0.464 . . . . 72.25 110.219 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 62' ' ' LEU . 3.5 mm? -69.22 -37.36 77.99 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.013 0.821 . . . . 74.14 110.469 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.541 HD11 ' HG3' ' A' ' 26' ' ' ARG . 43.2 mt -65.84 -40.98 92.29 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.421 -0.808 . . . . 73.11 109.772 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 12.7 mm-40 -71.47 -25.4 62.27 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.984 -1.007 . . . . 43.34 110.938 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 24.2 mmt180 -81.22 -20.24 41.51 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.373 0.669 . . . . 73.54 112.266 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.8 mt -86.29 -48.6 15.73 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 CA-C-O 121.257 0.551 . . . . 71.14 110.334 173.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HB3' HD11 ' A' ' 22' ' ' LEU . 15.0 ptm180 -61.39 -35.32 77.16 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 115.5 -0.773 . . . . 63.43 110.734 -174.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 13.0 pt-20 -62.44 -35.3 78.84 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 122.528 0.331 . . . . 73.42 110.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 45' ' ' ILE . 41.3 mmtm -69.85 -49.77 49.2 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.121 0.888 . . . . 62.21 109.977 -176.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.12 -21.61 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.993 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.08 -42.11 17.81 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.188 0.595 . . . . 61.32 112.235 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 13.6 ptm180 -72.36 -43.49 63.95 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 117.998 0.363 . . . . 72.34 111.005 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.437 ' HG2' ' HG3' ' A' ' 75' ' ' ARG . 16.0 mm-40 -81.49 -41.36 21.85 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.581 0.752 . . . . 55.5 110.694 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.07 15.32 64.97 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 115.462 -0.79 . . . . 70.21 112.674 -174.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -87.22 135.02 33.46 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.135 0.974 . . . . 62.44 110.111 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 m -78.6 -7.5 57.65 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 124.238 0.962 . . . . 62.13 111.124 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 19.1 mp0 -82.31 53.39 2.27 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.44 1.496 . . . . 62.33 110.348 -176.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.447 ' HA ' HG12 ' A' ' 45' ' ' ILE . 3.0 p -106.92 128.93 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.255 0.622 . . . . 73.52 111.05 -173.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 30.4 tt0 -142.8 109.86 5.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.649 0.779 . . . . 75.24 109.522 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.72 109.44 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 108.699 -0.852 . . . . 70.24 108.699 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -102.57 108.36 19.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.718 0.807 . . . . 73.12 108.888 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.6 104.76 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 108.509 -0.923 . . . . 73.4 108.509 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -99.48 112.89 25.02 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 107.369 -1.345 . . . . 72.11 107.369 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.569 ' HB3' ' HA ' ' A' ' 39' ' ' ILE . 34.5 p -155.56 142.03 18.64 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.452 -0.573 . . . . 75.33 109.452 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.61 -96.4 0.43 Allowed Glycine 0 C--N 1.352 1.456 0 O-C-N 124.157 0.911 . . . . 72.1 112.401 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.81 12.01 2.39 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.713 -0.555 . . . . 54.33 111.713 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -121.09 160.17 24.21 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.942 0.897 . . . . 72.44 110.874 -176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 80.4 m -132.68 114.57 14.34 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.053 0.941 . . . . 72.33 109.087 172.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 -87.95 113.2 23.37 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.268 -1.012 . . . . 62.51 108.268 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.0 m -102.71 103.81 14.08 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.236 -0.653 . . . . 71.04 109.236 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 82' ' ' GLU . 72.5 m-85 -89.55 107.0 18.83 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 107.517 -1.29 . . . . 64.33 107.517 173.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -98.25 146.76 25.31 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.944 0.898 . . . . 71.43 110.043 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -57.69 103.43 0.13 Allowed 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 121.727 0.775 . . . . 72.33 110.144 174.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.21 -0.905 . . . . 74.1 109.414 -173.124 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 tpp . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 109.687 -0.486 . . . . 63.23 109.687 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.78 85.9 0.65 Allowed Glycine 0 C--N 1.347 1.178 0 O-C-N 123.442 0.464 . . . . 64.45 113.167 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -112.19 166.14 11.53 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.18 0.592 . . . . 51.13 110.612 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -74.28 163.57 27.65 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.691 -1.14 . . . . 73.44 111.023 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -135.71 -64.1 0.64 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.897 0.879 . . . . 72.02 109.775 -172.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -148.56 147.61 29.23 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.513 1.125 . . . . 73.44 108.953 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -154.81 135.43 13.5 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.898 0.479 . . . . 73.44 110.672 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -155.64 107.17 2.57 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.829 0.852 . . . . 75.21 109.191 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.47 -44.98 96.13 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.93 0.892 . . . . 73.25 109.256 172.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -163.72 149.53 11.27 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 114.117 -1.401 . . . . 55.22 108.431 173.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 pp -79.19 162.16 25.93 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.243 -0.435 . . . . 72.12 110.326 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -87.08 80.61 8.31 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.872 -0.604 . . . . 74.53 110.037 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -77.16 -33.37 56.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.728 -0.669 . . . . 71.43 109.463 172.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -81.15 65.04 6.13 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.177 0.991 . . . . 71.21 109.668 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.0 m -147.15 129.28 15.56 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.102 0.961 . . . . 60.23 109.052 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -71.31 138.14 49.07 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 108.226 -1.028 . . . . 75.15 108.226 173.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.4 ttt -56.91 -30.98 64.43 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.368 0.667 . . . . 74.4 112.017 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -90.26 15.89 9.61 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 124.131 0.972 . . . . 71.31 111.524 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -116.16 143.98 44.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.535 -0.728 . . . . 71.21 110.54 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 80.38 -49.36 0.33 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 126.374 1.87 . . . . 71.11 113.387 171.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -58.93 -31.01 68.29 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.946 0.498 . . . . 62.4 111.423 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.63 -45.61 74.86 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.748 0.819 . . . . 43.42 110.099 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 21.2 tp10 -56.55 -36.21 69.02 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.586 0.754 . . . . 74.2 110.664 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -61.16 -41.35 96.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.179 0.592 . . . . 70.01 110.751 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.3 -31.64 64.15 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.889 -0.596 . . . . 71.53 110.235 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.575 ' HG3' HD11 ' A' ' 62' ' ' LEU . 27.2 ttt180 -57.49 -46.81 83.31 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.595 0.559 . . . . 64.31 110.389 173.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.3 mm-40 -57.73 -30.87 65.9 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.751 0.657 . . . . 63.52 111.314 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 31' ' ' GLU . 53.1 tp -77.4 -40.59 43.14 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.884 -0.598 . . . . 54.44 110.902 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' A' ' 62' ' ' LEU . 18.4 m-85 -67.3 -25.85 66.24 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.245 0.218 . . . . 55.21 110.754 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 33' ' ' HIS . 49.2 mt-10 -80.9 -37.34 29.84 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.976 0.91 . . . . 74.2 110.242 175.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 18.2 tp10 -54.61 -34.36 61.93 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.414 1.086 . . . . 31.55 110.611 170.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD21 ' CH2' ' A' ' 92' ' ' TRP . 48.2 mt -89.88 -32.05 17.05 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.63 0.772 . . . . 72.14 111.418 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 30' ' ' GLU . 10.4 t-160 -61.38 -29.14 69.73 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.066 0.946 . . . . 74.12 111.754 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 13.1 pt-20 -65.46 -22.16 66.72 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.188 0.44 . . . . 73.23 112.188 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -19.86 13.53 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 110.12 -0.326 . . . . 73.54 110.12 170.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.18 29.42 75.29 Favored Glycine 0 C--N 1.345 1.066 0 O-C-N 123.549 0.53 . . . . 45.2 113.842 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 t -83.04 172.54 12.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.023 0.529 . . . . 62.51 110.153 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 11.7 pt-20 -66.52 117.58 8.92 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 121.89 0.853 . . . . 73.32 110.987 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.458 HD12 HD11 ' A' ' 57' ' ' ILE . 31.7 mt -101.94 108.15 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.787 1.235 . . . . 43.53 108.164 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.81 101.77 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 108.272 -1.01 . . . . 74.13 108.272 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.4 HG23 HG22 ' A' ' 39' ' ' ILE . 59.4 t -104.5 138.77 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 108.413 -0.958 . . . . 62.14 108.413 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 41.6 tt0 -136.09 132.74 36.52 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.941 -0.392 . . . . 71.31 109.941 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.597 HG11 ' HG3' ' A' ' 72' ' ' LYS . 64.9 t -87.02 137.19 21.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.198 0.999 . . . . 72.23 108.37 175.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -132.07 102.75 5.94 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.428 1.091 . . . . 54.03 109.071 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.528 HG12 ' HA ' ' A' ' 81' ' ' VAL . 55.4 mt -133.81 100.47 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.724 0.81 . . . . 55.01 108.921 174.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 72.05 -71.43 0.13 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.514 1.525 . . . . 74.45 111.175 174.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.46 -18.12 0.57 Allowed Glycine 0 N--CA 1.47 0.919 0 CA-C-N 115.363 -0.835 . . . . 44.34 111.394 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -77.89 108.83 11.41 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 123.303 0.641 . . . . 71.35 109.493 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 13.3 ptm180 -120.77 115.06 22.57 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.122 -0.944 . . . . 74.14 109.426 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 23.7 t70 -116.19 110.96 19.51 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.07 -0.968 . . . . 74.42 109.395 -175.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -92.42 132.27 36.9 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.1 -0.704 . . . . 71.32 109.1 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -136.84 133.8 48.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 107.637 -1.246 . . . . 73.12 107.637 -174.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -127.71 110.86 13.06 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 118.381 0.537 . . . . 74.53 109.871 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.511 HG21 HD21 ' A' ' 65' ' ' LEU . 30.2 m -123.49 149.9 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.562 1.145 . . . . 74.23 108.596 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 33.4 mtp85 -126.43 -83.12 0.62 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 119.229 0.922 . . . . 71.2 110.985 -175.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -92.93 94.88 9.16 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 107.839 -1.171 . . . . 73.32 107.839 177.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.653 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -137.15 127.51 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 114.989 -1.005 . . . . 64.3 109.901 -174.614 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -73.43 177.09 5.49 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.483 0.713 . . . . 43.23 110.795 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.74 -33.37 68.39 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.237 1.199 . . . . 74.21 114.237 -168.628 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -89.41 -28.15 19.94 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 118.098 0.408 . . . . 73.12 111.371 177.553 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -67.91 -37.89 82.25 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.845 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.653 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.5 pp -73.85 -20.8 60.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.85 0.357 . . . . 74.31 110.627 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HG2' HD12 ' A' ' 66' ' ' LEU . 9.6 mtpm? -64.76 -17.66 64.37 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-O 118.318 -0.848 . . . . 75.35 111.59 171.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.79 -26.66 68.23 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 118.951 0.796 . . . . 51.42 110.716 174.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 54' ' ' VAL . 2.0 mm? -64.78 -47.05 79.55 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.375 -0.972 . . . . 63.45 108.375 172.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.48 HD12 ' HG2' ' A' ' 63' ' ' LYS . 58.2 mt -66.83 -28.26 68.22 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.54 -1.209 . . . . 70.55 111.035 178.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 27.7 mm-40 -74.37 -25.35 59.45 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 123.575 0.547 . . . . 72.25 110.376 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 65.0 mtt180 -77.91 -54.33 6.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.217 0.207 . . . . 72.42 110.609 170.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.57 -43.72 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.038 0.935 . . . . 74.14 110.254 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 ptm85 -57.09 -41.84 79.64 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.754 0.659 . . . . 71.51 111.51 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 41.0 mt-10 -59.15 -40.7 86.34 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.027 0.83 . . . . 51.44 110.445 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.597 ' HG3' HG11 ' A' ' 43' ' ' VAL . 67.2 mmtt -72.02 -48.54 43.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.891 -1.05 . . . . 75.1 108.55 -172.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.4 pt -72.49 -28.49 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 116.209 -0.45 . . . . 64.0 111.672 -175.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -85.45 -28.46 25.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.31 0.244 . . . . 71.04 111.214 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -85.98 -36.19 19.96 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.356 -0.215 . . . . 72.31 110.739 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -83.6 -53.28 5.78 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.201 0.6 . . . . 70.22 109.524 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.31 29.1 73.48 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 115.19 -0.914 . . . . 61.11 112.392 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -78.32 157.54 29.13 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.61 0.764 . . . . 73.43 111.025 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.4 p -69.19 -38.36 78.62 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.315 -0.857 . . . . 74.13 110.201 172.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.32 98.54 9.5 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 120.969 0.414 . . . . 75.53 109.907 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.528 ' HA ' HG12 ' A' ' 45' ' ' ILE . 27.2 m -125.52 122.06 61.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 107.723 -1.214 . . . . 71.4 107.723 169.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -138.01 136.29 36.76 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 120.793 0.33 . . . . 74.0 111.173 -175.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.6 t -122.28 118.28 54.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.834 0.853 . . . . 65.34 109.523 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -107.72 110.36 22.18 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.786 0.835 . . . . 62.43 109.981 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.26 134.07 48.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 109.299 -0.63 . . . . 51.3 109.299 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -133.68 112.5 11.47 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.002 -1.111 . . . . 73.12 108.002 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -159.21 126.03 4.64 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 123.046 0.216 . . . . 65.12 110.858 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.43 31.45 76.84 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 124.042 0.839 . . . . 51.21 114.058 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.5 9.46 86.44 Favored Glycine 0 C--N 1.348 1.216 0 C-N-CA 123.136 0.398 . . . . 75.31 113.677 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -113.2 146.13 39.8 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.985 0.914 . . . . 73.44 110.196 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.1 m -131.85 132.78 43.98 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.827 0.851 . . . . 71.44 110.356 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.403 ' CH2' HD21 ' A' ' 32' ' ' LEU . 23.5 m-90 -127.64 151.69 48.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.076 0.95 . . . . 75.41 109.999 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.9 m -134.14 104.5 6.23 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.542 0.737 . . . . 72.45 109.508 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -100.29 108.9 21.07 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.335 0.654 . . . . 65.52 109.693 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -141.54 148.45 39.38 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.092 0.957 . . . . 73.33 108.548 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -95.97 124.18 39.87 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.166 0.187 . . . . 64.33 110.697 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? . . . . . 0 CA--C 1.548 0.888 0 O-C-N 124.349 1.031 . . . . 63.4 108.324 -177.652 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 mtp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.324 -0.25 . . . . 64.35 110.324 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.04 -89.17 1.55 Allowed Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.675 -0.97 . . . . 23.42 110.675 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -84.41 82.97 8.16 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.204 0.602 . . . . 71.04 109.7 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -137.21 122.77 19.7 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.411 1.085 . . . . 75.03 108.87 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 t60 57.46 36.09 26.62 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.849 1.259 . . . . 75.31 110.34 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -68.76 98.52 0.92 Allowed 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.221 -0.9 . . . . 70.21 110.739 -177.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -62.16 96.23 0.07 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 107.715 -1.217 . . . . 75.51 107.715 166.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -130.32 76.33 1.72 Allowed 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.862 0.865 . . . . 54.31 108.696 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 61.41 -72.43 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 126.297 1.839 . . . . 74.44 112.274 169.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -55.1 -39.15 69.02 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.809 1.244 . . . . 72.45 111.752 174.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.3 tp -80.14 89.14 5.42 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.767 -0.827 . . . . 73.2 108.767 173.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -122.3 25.8 8.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.894 0.878 . . . . 62.33 109.416 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -45.84 -48.75 15.79 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.644 1.178 . . . . 64.31 111.476 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 77' ' ' GLY . 5.1 tp-100 -96.46 86.48 4.17 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.11 -1.07 . . . . 44.23 108.11 171.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 m -64.11 96.5 0.15 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.856 -1.066 . . . . 70.23 110.686 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -79.21 78.86 5.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.386 0.674 . . . . 64.14 109.454 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.8 mtt -67.26 -48.54 67.42 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.992 -1.004 . . . . 74.31 108.408 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 m 68.1 -69.24 0.15 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.982 1.713 . . . . 73.31 113.97 160.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -45.46 -40.28 8.15 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.928 1.691 . . . . 74.33 113.527 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -37.25 37.8 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 112.556 0.576 . . . . 72.24 112.556 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.666 ' HB2' HH11 ' A' ' 24' ' ' ARG . 4.5 pp -79.02 -18.0 54.35 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.897 0.479 . . . . 62.44 111.676 -175.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 66' ' ' LEU . 91.9 mt -65.77 -27.84 68.58 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.5 -0.773 . . . . 54.51 111.283 173.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 5.7 tp10 -57.81 -41.47 82.25 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.517 0.727 . . . . 63.51 111.197 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.666 HH11 ' HB2' ' A' ' 21' ' ' LEU . 41.5 mtp180 -53.97 -29.98 45.14 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.523 1.129 . . . . 74.33 111.631 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.3 mt -87.28 -43.23 12.33 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.777 0.831 . . . . 75.53 110.505 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.707 ' HB2' HD21 ' A' ' 66' ' ' LEU . 29.7 ttp180 -60.03 -46.71 88.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.047 0.939 . . . . 71.42 111.532 -172.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 24.9 mm-40 -52.52 -46.25 66.61 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 124.875 1.359 . . . . 63.42 110.312 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.7 tp -63.89 -47.62 79.88 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.364 -0.834 . . . . 62.12 111.604 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -60.49 -31.77 70.79 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.505 0.503 . . . . 73.43 111.827 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.01 -35.88 64.42 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.516 0.726 . . . . 73.45 110.767 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 25.8 mm-40 -72.17 -19.14 61.8 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.055 0.542 . . . . 63.54 111.342 176.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 86.5 mt -90.31 -30.42 17.48 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.409 0.623 . . . . 71.14 110.428 171.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.28 -38.46 89.42 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 115.745 -0.661 . . . . 74.31 111.066 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.9 -14.76 63.22 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.893 0.701 . . . . 73.41 112.893 -176.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 3.6 ptm85 -107.87 -18.19 13.87 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 122.352 0.261 . . . . 51.41 110.356 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.41 49.45 56.54 Favored Glycine 0 C--N 1.353 1.474 0 O-C-N 123.631 0.582 . . . . 54.54 112.013 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.421 HG21 ' HB2' ' A' ' 87' ' ' SER . 11.5 t -90.66 167.65 12.36 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.45 0.7 . . . . 72.15 111.062 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 11.0 pt-20 -79.67 117.18 20.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.256 -0.884 . . . . 72.32 109.208 171.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.766 HD12 HD11 ' A' ' 57' ' ' ILE . 53.0 mt -104.12 132.88 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.781 0.832 . . . . 72.5 108.831 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 60.2 t -120.11 108.36 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 108.096 -1.076 . . . . 72.32 108.096 174.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.9 t -93.02 121.59 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.742 -0.836 . . . . 74.21 108.742 -176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 35.6 tt0 -122.35 105.56 10.3 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.171 -0.677 . . . . 61.22 109.171 -175.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -98.46 125.77 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.26 0.624 . . . . 64.14 109.517 -175.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.538 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 48.4 m-70 -115.8 115.61 26.59 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.089 0.956 . . . . 74.15 108.579 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 80' ' ' GLU . 53.0 mt -134.98 114.96 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 C-N-CA 122.91 0.484 . . . . 71.31 109.782 177.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.6 m120 67.79 -63.05 0.32 Allowed 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.052 1.741 . . . . 74.01 111.534 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.65 24.63 0.1 Allowed Glycine 0 C--N 1.342 0.915 0 CA-C-N 116.262 -0.426 . . . . 52.43 112.529 174.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 8.2 mm-40 -101.13 142.55 32.42 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.786 0.834 . . . . 61.31 109.414 171.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -126.7 111.73 14.62 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-O 121.912 0.863 . . . . 71.41 109.094 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.502 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 29.9 m-20 -98.53 137.71 36.79 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.108 -1.071 . . . . 73.45 108.108 174.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -132.87 107.53 8.38 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.69 -0.485 . . . . 62.15 109.69 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.498 HG22 HG13 ' A' ' 54' ' ' VAL . 26.5 mt -114.5 107.73 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 107.965 -1.124 . . . . 74.41 107.965 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.49 104.3 16.34 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 107.989 -1.115 . . . . 61.11 107.989 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.498 HG13 HG22 ' A' ' 52' ' ' ILE . 3.1 m -112.4 105.18 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 124.33 1.052 . . . . 71.02 109.302 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.579 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 24.7 mtp-105 -103.14 126.29 50.25 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.989 -0.745 . . . . 74.35 108.989 -174.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 59.23 32.76 22.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.647 0.779 . . . . 74.04 111.214 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.766 HD11 HD12 ' A' ' 39' ' ' ILE . 1.5 pp -67.83 155.7 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 116.012 -0.54 . . . . 63.03 111.636 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 m -87.32 -178.17 6.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.196 -0.911 . . . . 65.53 111.578 -170.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 38.9 ttpt -68.49 -51.59 41.6 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.589 0.755 . . . . 54.33 112.135 -170.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -27.63 55.73 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.169 0.588 . . . . 74.43 110.711 175.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 36.4 tt0 -70.52 -32.32 69.74 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.15 -0.932 . . . . 72.14 112.296 -177.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.6 pp -68.93 -26.5 65.1 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.063 0.459 . . . . 70.3 110.514 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.53 ' HA ' HD13 ' A' ' 66' ' ' LEU . 88.3 mttt -69.4 -20.62 63.81 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.551 -0.749 . . . . 62.25 110.737 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 61' ' ' GLU . 13.1 mmmm -70.06 -22.65 63.04 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 109.941 -0.392 . . . . 74.34 109.941 176.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.02 -45.08 78.6 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 109.471 -0.566 . . . . 75.25 109.471 173.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 26' ' ' ARG . 9.5 mp -58.76 -42.21 88.39 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.255 0.972 . . . . 53.13 111.375 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 11.0 pt-20 -68.84 -37.88 79.44 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 123.498 0.499 . . . . 72.43 110.744 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -58.78 -45.88 88.8 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 117.832 0.287 . . . . 62.35 111.2 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 65' ' ' LEU . 70.5 mt -65.43 -48.51 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.862 0.865 . . . . 65.22 110.372 -178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 14.4 ptm180 -64.69 -32.76 74.57 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.196 -0.457 . . . . 63.01 110.956 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 40.2 mt-10 -56.96 -43.87 82.03 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 109.117 -0.697 . . . . 74.53 109.117 173.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -68.38 -43.38 77.47 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.682 0.614 . . . . 73.33 110.91 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 70' ' ' ARG . 1.3 pp -66.09 -28.93 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 CA-C-O 121.044 0.45 . . . . 73.41 110.302 -177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -86.61 -27.08 24.08 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.337 1.055 . . . . 70.43 112.932 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 71' ' ' GLU . 94.1 mtt180 -75.9 -46.09 31.91 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.395 0.617 . . . . 62.31 109.652 175.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -74.25 -29.5 61.72 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 114.767 -1.106 . . . . 63.1 111.366 -174.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.526 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . 85.03 -58.02 4.98 Favored Glycine 0 C--O 1.218 -0.878 0 CA-C-N 115.88 -0.6 . . . . 60.13 111.963 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -51.62 140.21 19.0 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.528 1.131 . . . . 74.12 113.088 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.2 t -78.6 0.18 27.36 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.576 0.75 . . . . 72.11 110.397 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 45' ' ' ILE . 9.8 tp10 -63.93 86.82 0.04 OUTLIER 'General case' 0 C--N 1.357 0.908 0 C-N-CA 124.67 1.188 . . . . 71.21 110.51 173.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.4 t -133.34 142.05 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 124.245 1.018 . . . . 72.33 109.487 -175.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 31.9 tt0 -142.77 105.8 4.55 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.278 1.031 . . . . 65.24 108.559 175.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.7 t -100.17 111.2 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.262 -0.644 . . . . 63.54 109.262 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 20.1 m-80 -101.57 105.13 16.05 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.004 -1.109 . . . . 73.11 108.004 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.12 117.9 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.781 -0.822 . . . . 63.2 108.781 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.532 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 76.9 m-70 -102.71 148.16 25.94 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.881 0.872 . . . . 73.04 108.727 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.421 ' HB2' HG21 ' A' ' 37' ' ' THR . 67.0 p -158.58 106.55 1.9 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.708 0.403 . . . . 74.53 110.278 175.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.05 -75.22 0.78 Allowed Glycine 0 CA--C 1.534 1.239 0 O-C-N 123.395 0.435 . . . . 63.33 112.129 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -152.96 28.65 0.81 Allowed Glycine 0 C--N 1.341 0.828 0 C-N-CA 123.477 0.56 . . . . 73.0 111.702 171.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 96.0 mt-30 -115.4 122.15 44.94 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.016 0.926 . . . . 63.11 109.912 -176.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.3 m -119.59 117.55 28.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.864 0.866 . . . . 75.51 109.701 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -108.48 115.2 29.65 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.331 0.652 . . . . 73.42 109.395 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 75.4 m -94.95 104.55 16.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.511 0.724 . . . . 73.2 109.483 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -91.23 113.28 25.5 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.003 0.921 . . . . 74.13 108.755 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.7 120.07 37.42 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 106.81 -1.552 . . . . 74.12 106.81 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -71.17 140.28 50.47 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 109.398 -0.593 . . . . 72.43 109.398 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt . . . . . 0 C--O 1.249 1.04 0 C-N-CA 123.385 0.674 . . . . 53.24 109.562 -176.256 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 111.861 0.319 . . . . 64.1 111.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.19 143.29 17.48 Favored Glycine 0 C--N 1.353 1.494 0 C-N-CA 123.254 0.454 . . . . 60.54 111.993 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -79.54 78.17 6.09 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.613 0.72 . . . . 72.2 109.521 173.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -81.55 93.54 6.71 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 107.577 -1.268 . . . . 70.02 107.577 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -73.43 71.6 1.3 Allowed 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 122.619 1.2 . . . . 62.14 111.392 -173.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -96.28 129.09 43.69 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 107.48 -1.304 . . . . 75.54 107.48 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -65.4 89.72 0.1 Allowed 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.418 -0.956 . . . . 72.2 108.418 168.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -69.92 -101.94 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 117.718 -1.134 . . . . 73.12 108.517 172.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 69.43 -25.33 0.15 Allowed 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 124.701 1.2 . . . . 53.23 113.966 171.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -69.08 171.22 8.56 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.259 1.023 . . . . 74.33 109.668 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.4 tp 76.02 -23.77 0.23 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.824 1.25 . . . . 74.1 111.408 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -72.88 -168.62 0.49 Allowed 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.484 0.714 . . . . 71.53 109.461 161.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -66.76 146.83 54.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.934 0.494 . . . . 74.01 110.539 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -70.95 -12.1 61.34 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 122.744 0.418 . . . . 71.04 111.159 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 m -60.86 146.64 45.71 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.26 1.024 . . . . 64.42 109.935 167.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -62.76 117.12 5.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.407 0.683 . . . . 70.11 110.065 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.1 mmm -71.02 -175.58 1.18 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.469 0.707 . . . . 74.5 110.328 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -54.9 124.25 16.04 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.444 0.697 . . . . 72.34 111.724 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -159.9 -33.57 0.06 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.622 1.169 . . . . 75.22 110.171 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.87 -45.51 86.24 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.156 0.582 . . . . 71.31 111.392 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.23 -49.41 67.31 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.183 0.593 . . . . 71.22 109.656 173.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.723 ' HB3' HD13 ' A' ' 66' ' ' LEU . 75.0 mt -60.8 -32.75 72.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.202 1.001 . . . . 75.55 112.181 -174.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.4 tp10 -68.0 -32.11 72.26 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.871 0.868 . . . . 75.31 109.865 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -68.14 -27.67 66.64 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.713 -0.676 . . . . 74.51 110.153 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.81 -38.13 33.63 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 115.498 -0.773 . . . . 75.4 109.158 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -62.07 -51.29 68.55 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.942 0.897 . . . . 75.15 109.946 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 35.5 mm-40 -57.8 -45.93 85.37 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 124.182 0.926 . . . . 75.31 110.891 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 59.1 tp -62.4 -49.77 74.18 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 124.076 0.86 . . . . 64.21 111.469 -176.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' A' ' 62' ' ' LEU . 21.5 m-30 -66.86 -41.72 86.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.771 0.428 . . . . 71.22 110.787 -175.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.39 -30.49 71.31 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.384 0.673 . . . . 62.23 111.146 177.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -74.6 -36.34 62.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.347 1.059 . . . . 65.44 110.941 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 91.2 mt -81.93 -21.16 37.44 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.43 0.692 . . . . 74.14 110.772 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -63.73 -25.99 68.45 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.143 0.977 . . . . 75.33 111.545 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -27.52 69.25 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.009 0.524 . . . . 54.34 111.176 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -19.83 13.53 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.164 0.186 . . . . 73.2 110.509 173.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.04 49.68 75.86 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 123.74 0.65 . . . . 71.52 112.212 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 t -74.98 168.85 19.15 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.139 0.976 . . . . 75.01 111.655 -176.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 87' ' ' SER . 6.6 pt-20 -65.15 86.56 0.06 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 124.401 1.08 . . . . 72.43 111.411 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.95 109.64 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.716 0.807 . . . . 74.41 109.053 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 59.9 t -107.12 104.73 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.866 -1.161 . . . . 63.01 107.866 177.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.56 110.07 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 108.203 -1.036 . . . . 72.31 108.203 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 84.4 tt0 -120.17 107.84 13.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.195 0.598 . . . . 71.03 109.73 -176.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 34.8 t -88.5 137.7 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.278 1.031 . . . . 73.23 108.751 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 58.0 m170 -124.65 108.44 12.04 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.713 0.805 . . . . 75.31 108.897 178.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 81' ' ' VAL . 56.0 mt -139.82 110.59 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.152 0.981 . . . . 64.14 109.618 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.1 m120 52.83 34.0 15.49 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 125.373 1.469 . . . . 65.11 112.948 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.99 -21.01 48.28 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 115.796 -0.638 . . . . 72.55 113.455 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.14 117.13 19.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 117.227 0.513 . . . . 72.14 109.779 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.52 134.48 42.33 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.047 0.451 . . . . 73.34 110.005 174.634 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 28.9 t70 -115.65 110.57 19.36 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 107.443 -1.317 . . . . 72.35 107.443 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -117.31 112.46 20.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.189 0.595 . . . . 74.2 110.165 -169.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.2 mt -119.24 107.63 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 108.236 -1.024 . . . . 75.4 108.236 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HG2' HG13 ' A' ' 40' ' ' VAL . 74.3 mtt180 -95.99 106.59 18.77 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.59 0.756 . . . . 63.32 109.236 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.65 152.98 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.751 1.22 . . . . 74.33 108.945 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -117.98 -80.25 0.61 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.513 -0.551 . . . . 74.23 109.513 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -104.59 57.82 0.7 Allowed 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.969 0.89 . . . . 63.21 109.088 -170.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.558 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.2 pp -70.43 -178.16 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 CA-C-N 114.123 -1.398 . . . . 74.33 110.904 173.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 m -102.88 168.2 9.37 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.694 0.798 . . . . 74.54 110.252 -177.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.576 ' H ' ' HD3' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -75.23 -33.61 61.37 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.83 1.048 . . . . 73.22 113.83 -167.802 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.27 -28.53 21.03 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.223 0.535 . . . . 73.5 110.259 171.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -68.55 -30.37 69.15 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.232 -0.895 . . . . 53.12 112.225 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 29' ' ' PHE . 3.8 pp -71.83 -20.43 61.83 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.097 0.475 . . . . 71.42 110.966 175.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 95.0 mttt -72.61 -17.29 61.7 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.022 0.529 . . . . 72.24 110.608 174.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.502 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 13.0 mmmm -67.47 -32.81 73.9 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.024 -0.535 . . . . 70.51 110.141 168.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.89 -38.41 85.57 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.052 0.541 . . . . 73.4 111.002 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.2 pp -83.59 -30.25 27.13 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.803 0.441 . . . . 71.12 111.709 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.594 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -74.52 -19.96 60.16 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.961 -0.462 . . . . 73.43 110.237 175.608 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 4.7 mtp180 -70.93 -17.33 62.69 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.696 0.798 . . . . 71.01 111.442 169.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.48 HD13 HG21 ' A' ' 83' ' ' VAL . 52.8 mt -83.41 -47.46 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.306 0.643 . . . . 53.54 109.791 172.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.594 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 13.0 ptm180 -64.36 -37.05 86.12 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 116.105 -0.498 . . . . 73.53 111.503 -173.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.11 -32.42 70.97 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.551 0.532 . . . . 62.13 109.97 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 40.6 mmtm -74.86 -46.6 35.28 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 123.756 0.66 . . . . 64.23 110.457 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.53 -27.21 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 111.443 0.164 . . . . 75.22 111.443 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -82.34 -43.79 16.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.562 0.745 . . . . 70.35 111.401 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -64.36 -34.0 77.14 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 110.036 -0.357 . . . . 74.3 110.036 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -79.51 -56.66 4.15 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.62 -0.718 . . . . 73.14 110.452 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.16 -4.84 71.25 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.085 -0.961 . . . . 24.33 112.838 -172.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.9 m -87.03 151.11 23.55 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 123.655 0.782 . . . . 65.32 111.229 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -89.4 -11.46 43.12 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.901 -1.045 . . . . 72.31 110.403 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -71.24 93.84 1.13 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 109.561 -0.533 . . . . 70.44 109.561 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.401 ' HA ' HG12 ' A' ' 45' ' ' ILE . 5.0 p -134.67 133.51 54.39 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 C-N-CA 124.05 0.94 . . . . 71.42 109.257 176.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 39.5 tt0 -136.24 107.28 6.72 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.783 0.833 . . . . 73.05 108.774 176.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 69' ' ' ILE . 25.5 t -98.83 110.97 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 108.544 -0.91 . . . . 64.31 108.544 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -101.17 107.35 18.73 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.11 -1.07 . . . . 62.11 108.11 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.8 t -95.38 106.7 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 108.042 -1.096 . . . . 74.01 108.042 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 22.0 m-70 -97.07 111.81 23.87 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 107.15 -1.426 . . . . 64.1 107.15 -177.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 18.6 m -140.5 106.87 5.27 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.297 0.499 . . . . 71.24 111.178 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.75 33.07 86.26 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 124.368 1.043 . . . . 54.5 113.934 174.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.86 -13.72 57.6 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-O 119.596 -0.558 . . . . 61.31 113.489 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -92.24 156.95 16.95 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.217 0.607 . . . . 74.5 110.259 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.2 m -142.44 114.41 8.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.413 0.685 . . . . 74.15 109.872 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -91.81 126.73 37.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.678 0.791 . . . . 71.14 109.324 173.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.2 p -102.99 107.27 18.01 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.367 0.667 . . . . 73.4 110.281 177.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -99.87 108.89 21.27 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.552 0.741 . . . . 74.3 109.934 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -99.55 157.68 16.28 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.784 0.833 . . . . 71.41 109.391 173.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.2 132.13 50.73 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 109.129 -0.693 . . . . 75.33 109.129 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt . . . . . 0 CA--C 1.555 1.141 0 CA-C-O 118.217 -0.897 . . . . 72.55 110.428 -174.476 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 108.975 -0.75 . . . . 74.12 108.975 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.1 -153.52 23.18 Favored Glycine 0 C--O 1.242 0.653 0 N-CA-C 109.739 -1.344 . . . . 73.43 109.739 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -137.05 134.14 36.22 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 117.299 0.55 . . . . 73.31 110.179 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -87.87 173.71 8.78 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.997 0.919 . . . . 64.52 108.884 172.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -61.01 142.13 56.84 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.351 0.66 . . . . 70.12 111.02 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -69.69 80.52 0.43 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.338 1.055 . . . . 62.53 112.231 -170.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -176.62 149.54 0.78 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.28 1.432 . . . . 72.35 107.793 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.662 ' HB2' ' HA ' ' A' ' 76' ' ' GLU . 1.7 p-80 -85.47 159.29 19.97 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.623 0.249 . . . . 73.14 110.782 173.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . 13.0 mm-40 -76.64 93.58 3.64 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.2 -0.667 . . . . 75.34 109.2 172.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -75.15 77.7 2.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.23 0.612 . . . . 52.43 110.365 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tt 53.4 61.67 3.02 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.101 1.361 . . . . 75.34 110.016 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -123.1 -76.48 0.59 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.617 -0.882 . . . . 73.31 108.617 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -78.97 84.32 5.0 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.616 -0.883 . . . . 73.41 108.616 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -85.02 90.23 7.79 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.804 -1.184 . . . . 75.21 107.804 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.8 p -61.37 -17.88 56.06 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.338 1.055 . . . . 72.45 111.856 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.9 m80 65.89 38.6 4.97 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 124.857 1.263 . . . . 74.14 109.889 -174.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.8 ttm -60.16 -9.92 3.86 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 124.463 1.105 . . . . 72.42 112.078 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' ' 70' ' ' ARG . 76.5 p -75.27 -5.68 45.86 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.586 1.555 . . . . 52.03 113.117 173.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -61.48 104.19 0.39 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.267 1.027 . . . . 74.34 110.764 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 72.65 -11.23 0.86 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.147 1.379 . . . . 71.21 112.52 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.25 -54.7 33.27 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.414 1.085 . . . . 70.51 109.531 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.79 -40.72 93.65 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 124.127 0.892 . . . . 65.15 111.082 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 36.5 tt0 -59.18 -43.55 92.17 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.53 0.519 . . . . 63.32 110.662 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -67.59 -28.49 67.81 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.437 0.695 . . . . 74.22 111.744 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.8 mt -77.97 -34.0 51.2 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.79 -0.819 . . . . 72.14 108.79 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.477 ' HB2' HD11 ' A' ' 66' ' ' LEU . 38.9 ttp180 -65.31 -44.8 86.71 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.987 -1.006 . . . . 74.43 109.355 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 30.4 mm-40 -53.54 -40.99 65.95 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.344 1.028 . . . . 73.11 110.806 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.94 -52.18 64.04 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 114.997 -1.001 . . . . 54.24 110.534 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.41 ' HB2' HD13 ' A' ' 62' ' ' LEU . 22.2 m-85 -65.33 -34.38 78.19 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.994 0.517 . . . . 74.52 111.872 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.94 -34.82 71.85 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.77 0.828 . . . . 71.12 110.32 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.86 -48.27 72.15 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.023 -0.732 . . . . 72.53 109.023 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.23 -25.71 68.18 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.358 1.063 . . . . 72.51 111.831 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -55.52 -26.2 41.59 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.334 1.054 . . . . 73.44 112.664 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.81 -31.61 68.6 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.38 0.672 . . . . 72.12 111.308 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.33 -31.5 8.16 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.93 0.492 . . . . 75.4 110.159 176.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.11 42.12 99.69 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.864 0.727 . . . . 61.44 113.136 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 t -78.37 177.01 8.81 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.293 0.637 . . . . 75.51 110.987 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.22 93.2 0.06 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.36 1.064 . . . . 74.23 112.059 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.439 ' HB ' HG23 ' A' ' 54' ' ' VAL . 47.9 mt -94.47 109.76 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 108.571 -0.9 . . . . 73.11 108.571 177.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' HG2' ' A' ' 53' ' ' ARG . 46.8 t -112.0 103.21 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 108.572 -0.899 . . . . 70.21 108.572 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -94.13 119.6 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 109.16 -0.682 . . . . 74.42 109.16 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.578 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 35.4 mt-10 -112.71 107.41 16.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.673 0.789 . . . . 70.12 110.594 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 21.5 t -93.7 98.45 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 107.852 -1.166 . . . . 61.13 107.852 175.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -89.77 106.58 18.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.012 -0.995 . . . . 64.12 109.331 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.447 HG12 ' HA ' ' A' ' 81' ' ' VAL . 38.4 mt -134.57 124.93 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.823 0.849 . . . . 75.42 109.745 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 57.63 35.59 25.84 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.805 1.242 . . . . 62.11 112.653 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.93 -21.75 35.06 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 115.66 -0.7 . . . . 64.41 113.257 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -82.91 140.96 32.54 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.84 0.856 . . . . 72.14 110.753 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -115.95 124.55 50.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.809 0.843 . . . . 74.21 110.141 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.578 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 27.6 t0 -100.65 111.27 23.48 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 108.235 -1.024 . . . . 73.02 108.235 172.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -105.34 110.82 23.31 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.711 -0.848 . . . . 74.11 108.711 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -114.67 130.09 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 106.83 -1.544 . . . . 65.33 106.83 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' HG2' HG13 ' A' ' 40' ' ' VAL . 45.9 mtp180 -122.5 114.68 21.01 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.997 -0.742 . . . . 74.22 108.997 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.549 HG21 HD11 ' A' ' 65' ' ' LEU . 27.1 m -127.57 152.34 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.796 1.238 . . . . 62.42 108.799 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -123.97 -89.15 0.59 Allowed 'General case' 0 N--CA 1.484 1.274 0 O-C-N 122.152 -0.342 . . . . 71.34 110.841 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -92.99 37.73 1.03 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.649 0.78 . . . . 61.25 110.067 -170.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.579 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pp -63.32 142.53 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.395 1.078 . . . . 72.51 112.941 -174.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 m -78.63 175.03 10.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.605 0.762 . . . . 72.2 109.944 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 58.0 pttt -57.77 -39.62 77.87 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.453 0.701 . . . . 72.34 110.821 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.41 -33.47 73.05 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.157 0.983 . . . . 65.31 111.296 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.1 -31.76 27.11 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.021 0.528 . . . . 62.04 111.334 -174.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.6 pp -76.92 -20.92 55.62 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.906 -0.496 . . . . 52.42 110.125 174.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 57.0 mtpt -64.54 -21.92 66.82 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 119.329 -0.367 . . . . 71.15 110.977 167.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 32.7 mmmt -67.92 -25.26 65.39 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 110.332 -0.247 . . . . 74.42 110.332 175.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.549 HD11 HG21 ' A' ' 54' ' ' VAL . 92.7 mt -69.22 -40.21 78.11 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.401 -0.592 . . . . 74.41 109.401 174.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 26' ' ' ARG . 38.0 mt -65.49 -33.53 76.15 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.24 -0.891 . . . . 62.43 110.543 178.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 32.2 mm-40 -61.38 -56.24 22.53 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 115.779 -0.646 . . . . 71.34 109.612 173.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 21.0 mmt180 -58.0 -43.4 86.61 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.252 -0.431 . . . . 72.34 111.89 -172.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.37 -47.15 93.23 Favored 'Isoleucine or valine' 0 C--O 1.25 1.109 0 O-C-N 123.808 0.693 . . . . 73.5 110.349 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HB2' HG21 ' A' ' 18' ' ' THR . 7.1 ptp85 -61.11 -39.79 91.32 Favored 'General case' 0 C--N 1.371 1.531 0 O-C-N 123.353 0.408 . . . . 53.24 110.082 -178.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 45.3 mt-10 -62.04 -31.24 71.63 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.193 0.933 . . . . 61.43 111.198 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 36.1 mmtm -78.34 -50.63 11.42 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 109.96 -0.385 . . . . 74.0 109.96 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.9 -28.47 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 O-C-N 123.318 0.386 . . . . 74.3 111.819 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -86.6 -36.63 18.74 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.114 0.566 . . . . 53.13 111.679 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -72.72 -23.32 60.84 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.02 0.373 . . . . 73.51 110.749 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.662 ' HA ' ' HB2' ' A' ' 8' ' ' HIS . 39.4 mm-40 -96.12 -34.65 11.62 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.075 -0.511 . . . . 74.11 110.875 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.585 ' HA3' ' HB2' ' A' ' 9' ' ' GLU . . . 61.31 20.07 58.16 Favored Glycine 0 C--N 1.349 1.26 0 O-C-N 123.497 0.498 . . . . 43.43 112.911 -174.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -106.56 142.44 36.2 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.07 0.948 . . . . 74.12 110.057 -171.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 m -74.47 -10.04 59.18 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.678 0.791 . . . . 62.32 111.428 175.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -71.38 92.25 1.06 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.314 1.046 . . . . 53.12 109.048 178.482 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.447 ' HA ' HG12 ' A' ' 45' ' ' ILE . 6.0 p -142.6 136.22 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.734 0.413 . . . . 75.52 111.512 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -141.8 105.81 4.76 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.223 -1.028 . . . . 74.11 108.223 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.47 109.83 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.922 -0.769 . . . . 61.44 108.922 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -100.51 104.77 16.16 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.814 -1.18 . . . . 65.13 107.814 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 91' ' ' THR . 91.2 t -93.31 113.7 28.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 108.312 -0.995 . . . . 74.55 108.312 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.446 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 38.6 m-70 -94.86 148.37 22.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.668 -1.234 . . . . 72.34 107.668 174.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -161.3 101.84 1.23 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.227 -0.657 . . . . 63.33 109.227 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.26 38.9 57.73 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 124.222 0.951 . . . . 71.55 115.095 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.37 -29.72 10.63 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.841 0.32 . . . . 63.31 113.284 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -79.69 147.11 32.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.544 0.738 . . . . 74.34 110.309 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 68.3 m -143.74 115.87 8.41 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.295 0.638 . . . . 52.32 110.508 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.8 m-90 -98.06 115.05 27.45 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.492 -0.929 . . . . 63.31 108.492 172.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.3 p -92.75 103.97 16.28 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.235 0.541 . . . . 72.43 109.837 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -89.59 120.72 31.13 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.071 -1.085 . . . . 74.13 108.071 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -98.1 160.31 14.38 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.878 0.871 . . . . 71.04 110.203 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.62 146.8 15.73 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.318 0.647 . . . . 62.34 111.379 174.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? . . . . . 0 CA--C 1.556 1.198 0 C-N-CA 123.707 0.803 . . . . 74.34 109.462 -178.29 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.584 -0.524 . . . . 73.23 109.584 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.18 79.87 0.03 OUTLIER Glycine 0 C--N 1.344 1.004 0 N-CA-C 111.123 -0.791 . . . . 62.43 111.123 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.2 163.83 25.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.278 0.631 . . . . 64.41 110.758 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -117.44 120.81 39.27 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 108.77 -0.826 . . . . 74.3 108.77 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -82.54 133.04 35.19 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.479 -0.563 . . . . 73.21 109.479 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -151.41 97.01 2.35 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.609 -0.886 . . . . 73.4 108.609 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -81.36 132.63 35.34 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.135 -0.484 . . . . 74.24 109.793 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -90.18 127.62 36.16 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.734 -0.839 . . . . 72.43 108.734 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -77.3 151.95 34.77 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.288 0.368 . . . . 74.32 110.416 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -68.9 152.39 45.34 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.815 -0.629 . . . . 75.44 109.901 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.0 tp -137.99 124.32 20.57 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.717 -0.845 . . . . 72.44 108.717 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -127.56 -172.68 2.72 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.608 0.763 . . . . 75.14 110.307 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -57.56 140.92 49.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.111 0.964 . . . . 74.32 111.721 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -119.33 142.02 48.51 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.417 -0.957 . . . . 65.32 108.417 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.0 p -75.07 166.43 23.68 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.438 0.695 . . . . 35.23 110.692 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -17.86 64.61 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.689 0.796 . . . . 63.33 111.989 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 mtm 64.57 14.59 9.07 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.798 1.239 . . . . 54.4 112.738 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -64.18 -17.15 63.24 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.788 0.435 . . . . 61.31 111.937 -175.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -86.12 -55.52 3.89 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.036 0.534 . . . . 55.03 110.063 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -77.52 -55.08 5.67 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.825 0.85 . . . . 71.21 112.019 -171.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -54.78 -52.25 63.19 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.437 0.695 . . . . 73.54 110.266 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 70' ' ' ARG . 82.1 mt -69.52 -25.54 64.09 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 123.631 0.582 . . . . 60.11 112.126 -178.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 42.5 tt0 -61.76 -36.63 81.58 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 110.305 -0.257 . . . . 74.31 110.305 175.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -62.94 -30.87 71.89 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.572 0.545 . . . . 74.3 109.744 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 22' ' ' LEU . 3.3 mm? -77.51 -43.18 32.97 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 115.655 -0.702 . . . . 61.42 110.127 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.603 ' HB2' HD21 ' A' ' 66' ' ' LEU . 41.5 ttm180 -58.04 -51.75 68.39 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.268 0.627 . . . . 73.24 110.971 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 30.9 mm-40 -60.01 -39.92 87.49 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.338 1.024 . . . . 72.11 110.711 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.7 tp -66.95 -42.95 84.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.204 0.602 . . . . 72.04 110.748 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -68.29 -24.24 64.84 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.866 0.466 . . . . 74.33 110.886 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.82 -32.02 52.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.481 0.712 . . . . 64.32 110.979 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 16.7 mm-40 -62.41 -34.6 77.06 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.497 0.665 . . . . 72.02 109.574 170.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 mt -87.51 -24.21 24.16 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 115.424 -0.807 . . . . 70.4 111.779 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -64.32 -32.22 73.73 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.904 0.881 . . . . 55.25 111.84 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.04 -28.75 70.31 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.044 0.538 . . . . 73.3 111.358 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -112.26 -10.16 13.84 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.213 0.605 . . . . 70.25 110.763 -175.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.08 28.18 72.47 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 123.859 0.725 . . . . 74.43 114.492 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -71.31 162.29 29.68 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.284 0.564 . . . . 62.11 111.687 -172.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.601 ' HB3' ' HE ' ' A' ' 55' ' ' ARG . 7.5 pt-20 -73.63 98.93 2.96 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.193 0.997 . . . . 72.23 111.266 -176.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 57' ' ' ILE . 46.9 mt -92.59 115.4 31.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.835 -0.802 . . . . 73.44 108.835 -176.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 45.2 t -108.03 102.83 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 107.979 -1.119 . . . . 65.51 107.979 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.4 t -93.78 124.78 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.719 -0.845 . . . . 75.31 108.719 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 43.1 tt0 -124.04 107.55 11.41 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.874 0.87 . . . . 74.22 109.086 -173.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 46.8 t -89.55 124.1 42.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.003 0.921 . . . . 63.24 109.276 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 37.9 m-70 -114.73 99.4 7.48 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.257 1.023 . . . . 72.44 108.792 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 25.8 mt -128.34 123.01 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 N-CA-C 109.424 -0.584 . . . . 72.52 109.424 176.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.1 m120 63.61 18.44 11.1 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.007 1.323 . . . . 62.4 112.449 -176.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.19 -5.71 71.75 Favored Glycine 0 C--N 1.351 1.361 0 CA-C-O 120.117 -0.268 . . . . 65.34 113.075 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -85.99 124.34 32.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.259 0.624 . . . . 72.41 110.055 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -91.74 153.54 19.56 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.623 0.769 . . . . 75.34 110.039 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.599 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 37.9 t70 -144.57 111.82 5.99 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.755 0.422 . . . . 72.0 110.234 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.74 123.27 42.86 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.568 0.747 . . . . 43.13 110.38 -174.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 mt -128.33 108.22 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.225 -1.028 . . . . 74.31 108.225 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG2' HG22 ' A' ' 40' ' ' VAL . 23.5 mtm180 -98.63 123.6 42.92 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.795 0.438 . . . . 71.22 110.843 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG21 HD21 ' A' ' 65' ' ' LEU . 14.7 m -135.34 135.99 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.65 1.18 . . . . 64.31 109.403 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.601 ' HE ' ' HB3' ' A' ' 38' ' ' GLU . 29.3 mtp-105 -131.35 129.46 41.41 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.484 -0.562 . . . . 74.12 109.484 -177.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.5 m120 64.43 19.46 11.81 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.508 1.123 . . . . 72.04 112.706 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.468 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.0 pp -62.46 149.5 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 113.019 0.748 . . . . 74.24 113.019 -175.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.562 ' HB2' ' HG2' ' A' ' 61' ' ' GLU . 14.3 m -74.52 170.83 14.93 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 115.908 -0.587 . . . . 61.51 111.212 -178.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -21.73 61.18 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.08 0.467 . . . . 74.3 111.624 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -87.56 -27.38 22.6 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.254 0.622 . . . . 74.54 110.848 171.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HG2' ' HB2' ' A' ' 58' ' ' SER . 17.0 mm-40 -77.47 -24.35 50.21 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.653 0.381 . . . . 63.23 111.882 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.659 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.4 pp -69.46 -23.73 63.7 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 110.287 -0.264 . . . . 71.42 110.287 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -64.72 -20.72 66.49 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.447 0.699 . . . . 73.23 111.642 173.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -76.67 -20.13 56.99 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.443 0.697 . . . . 71.2 110.194 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 62' ' ' LEU . 3.6 mm? -77.44 -41.65 38.95 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.907 -0.775 . . . . 75.54 108.907 170.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 26' ' ' ARG . 10.8 mp -54.94 -41.88 71.61 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.642 0.777 . . . . 63.43 109.91 170.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 27.9 tt0 -64.65 -50.67 66.17 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 114.319 -1.31 . . . . 73.21 109.794 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -56.43 -26.38 53.45 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.533 0.733 . . . . 71.03 112.901 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.8 mt -84.36 -44.8 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.41 0.684 . . . . 70.51 110.796 175.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.516 ' HB3' HD11 ' A' ' 22' ' ' LEU . 11.1 ptt180 -62.05 -38.55 89.19 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 122.619 0.368 . . . . 63.31 110.356 -174.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 20.5 mm-40 -56.58 -36.71 69.67 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.958 0.786 . . . . 42.24 109.373 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -75.35 -51.07 14.04 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.43 -0.805 . . . . 73.13 109.68 -175.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.1 -21.69 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 117.692 0.224 . . . . 64.31 111.5 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -76.93 -46.33 24.63 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.619 0.768 . . . . 71.41 110.971 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 mtp-105 -67.24 -45.86 75.49 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.369 0.668 . . . . 70.31 111.186 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -78.4 -56.59 4.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.088 0.955 . . . . 72.34 109.087 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.1 29.78 76.24 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.184 -0.916 . . . . 72.21 112.981 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.9 t -102.85 162.8 12.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.087 0.955 . . . . 72.33 110.225 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 m -90.32 -13.61 34.83 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.343 0.657 . . . . 61.2 111.147 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 10.7 tp10 -79.61 73.09 6.31 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.29 -0.633 . . . . 63.12 109.29 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.1 t -125.79 129.72 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.703 0.801 . . . . 55.14 109.531 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 30.4 tt0 -142.49 113.56 7.62 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.2 1.0 . . . . 62.41 109.312 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.0 t -99.46 116.52 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 122.979 0.512 . . . . 52.21 110.276 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 2.9 m-20 -102.36 107.74 18.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.851 0.86 . . . . 62.23 108.824 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.0 t -94.56 115.81 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.959 -0.756 . . . . 73.23 108.959 172.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.589 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 55.0 m-70 -104.08 153.53 20.79 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.808 -1.182 . . . . 64.02 107.808 173.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 61.5 p -158.22 105.23 1.9 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.928 -0.397 . . . . 75.32 109.928 174.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.87 -80.81 0.67 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 111.703 -0.559 . . . . 64.43 111.703 -175.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -140.89 6.71 2.63 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 123.588 0.613 . . . . 63.42 112.16 173.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 38.4 mt-30 -89.42 147.13 24.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.427 1.091 . . . . 54.42 109.773 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.7 m -142.27 126.0 16.99 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.62 0.645 . . . . 74.14 111.412 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -116.91 136.92 52.57 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.922 1.289 . . . . 73.31 107.911 169.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.6 p -127.49 108.75 11.08 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.669 0.387 . . . . 74.43 110.38 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -92.1 137.31 32.47 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.383 -0.969 . . . . 74.55 108.383 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -143.5 136.12 27.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.836 0.454 . . . . 72.11 109.778 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.15 126.84 31.47 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.73 0.412 . . . . 73.31 109.984 173.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt . . . . . 0 C--O 1.245 0.855 0 C-N-CA 123.467 0.707 . . . . 73.32 109.963 176.231 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 mtm . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 109.395 -0.594 . . . . 71.44 109.395 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.67 -178.47 53.95 Favored Glycine 0 C--N 1.348 1.216 0 O-C-N 123.365 0.416 . . . . 64.42 113.803 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -163.39 107.35 1.03 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.839 0.856 . . . . 73.51 109.813 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -119.8 135.18 54.96 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.512 1.125 . . . . 63.54 108.585 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -99.24 -43.28 6.67 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.535 0.734 . . . . 74.24 111.172 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 59.99 86.34 0.1 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 124.402 1.063 . . . . 74.22 110.765 -170.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -76.77 138.28 39.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.684 -0.689 . . . . 71.12 109.403 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -149.13 54.92 0.98 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 122.046 0.927 . . . . 75.2 109.655 -171.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -71.15 92.21 0.97 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.616 -1.174 . . . . 73.54 108.783 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -150.36 89.3 1.56 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.547 -1.279 . . . . 72.53 107.547 178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.7 mt -121.21 108.49 13.82 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.123 -1.436 . . . . 74.33 107.123 175.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -73.27 76.82 1.32 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.152 0.581 . . . . 63.11 110.875 -178.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -65.94 139.23 58.23 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.489 -0.93 . . . . 71.35 108.489 171.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -58.58 105.61 0.31 Allowed 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.838 0.711 . . . . 60.55 110.902 -170.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 m -82.44 66.91 8.26 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.458 1.103 . . . . 60.51 111.929 -171.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -109.42 -5.96 15.61 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.689 0.795 . . . . 73.5 109.809 172.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -85.35 122.64 29.81 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.065 0.946 . . . . 75.54 109.453 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 m -82.61 -18.31 41.67 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.657 0.783 . . . . 64.45 111.846 -171.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -76.48 7.54 4.36 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.378 0.881 . . . . 52.51 113.378 -171.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.47 -67.78 0.41 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.791 0.836 . . . . 71.44 111.181 177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.419 ' O ' HD23 ' A' ' 25' ' ' LEU . 2.7 pt? -68.93 -19.24 64.18 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 116.108 -0.496 . . . . 74.41 110.947 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.524 ' HB3' HD13 ' A' ' 66' ' ' LEU . 68.4 mt -78.29 -36.64 46.35 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.17 0.588 . . . . 74.25 111.495 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.64 -39.18 93.7 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.332 0.653 . . . . 64.32 111.138 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -22.41 62.38 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.763 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 21' ' ' LEU . 3.7 mm? -77.71 -34.72 52.61 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.433 -0.58 . . . . 55.1 109.433 172.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -61.26 -40.3 93.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.096 0.958 . . . . 62.44 110.165 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -59.95 -41.68 92.38 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.12 0.887 . . . . 74.41 111.034 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.58 -36.08 75.94 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.711 0.804 . . . . 72.43 110.61 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.575 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 23.1 m-85 -72.0 -36.29 69.7 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.767 0.427 . . . . 75.43 110.79 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -65.38 -40.82 93.99 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.673 0.789 . . . . 72.23 109.858 174.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -54.37 -52.18 62.44 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 114.752 -1.113 . . . . 74.14 110.185 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 30.0 mt -77.76 -23.83 49.14 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.317 -0.856 . . . . 74.3 111.449 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -56.16 -38.67 71.2 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.406 1.082 . . . . 73.34 112.406 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -23.79 66.14 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.798 0.666 . . . . 62.32 112.798 -174.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 4.8 ptm85 -101.71 -22.47 14.41 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 110.238 -0.282 . . . . 63.54 110.238 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.18 31.01 69.16 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.613 0.57 . . . . 72.14 113.452 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -70.63 150.26 46.2 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 109.222 -0.659 . . . . 70.11 109.222 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 10.7 pt-20 -70.66 120.18 15.9 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.475 0.655 . . . . 71.23 111.414 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.7 mt -98.54 111.26 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 114.725 -1.125 . . . . 71.25 108.626 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.51 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 79.1 t -100.76 103.27 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 108.53 -0.915 . . . . 71.45 108.53 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.1 t -94.61 110.74 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 108.627 -0.879 . . . . 74.42 108.627 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 69.7 tt0 -115.32 105.03 12.39 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.975 -0.75 . . . . 75.13 108.975 -173.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -93.63 106.34 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.305 0.642 . . . . 72.45 109.9 -175.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -86.18 121.49 28.85 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.997 0.919 . . . . 63.32 108.836 176.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.435 HG23 ' HG3' ' A' ' 76' ' ' GLU . 10.5 mt -138.51 106.21 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.255 1.022 . . . . 63.33 109.248 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.5 m120 52.19 31.62 9.4 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.823 1.249 . . . . 54.31 112.891 171.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.56 -19.28 19.4 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.838 -0.619 . . . . 54.41 113.448 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -93.74 109.86 21.51 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.449 0.7 . . . . 70.44 110.148 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -89.92 122.66 33.16 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 108.514 -0.921 . . . . 73.32 108.514 173.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 9.2 t70 -108.62 109.11 20.24 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.585 -0.895 . . . . 70.14 108.585 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -100.39 111.84 24.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.055 0.542 . . . . 60.33 109.842 -170.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.3 mt -114.11 106.8 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.382 1.073 . . . . 74.2 108.296 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -107.61 118.78 37.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.218 0.607 . . . . 55.33 109.7 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG21 HD21 ' A' ' 65' ' ' LEU . 23.1 m -121.82 145.41 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 107.763 -1.199 . . . . 72.33 107.763 170.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 5.9 mtp-105 -104.26 -65.6 1.01 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.405 0.622 . . . . 75.53 109.581 177.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -122.59 110.07 15.09 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.557 -1.275 . . . . 64.15 107.557 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.518 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pp -128.63 152.28 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 124.434 1.094 . . . . 72.21 109.593 -176.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.403 ' H ' ' HB2' ' A' ' 61' ' ' GLU . 28.5 m -77.53 -176.14 4.12 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.191 0.597 . . . . 70.21 110.767 177.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.28 -42.4 88.48 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.088 0.555 . . . . 64.12 109.915 173.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.18 -27.35 66.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.094 0.957 . . . . 73.25 110.533 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' A' ' 58' ' ' SER . 29.0 mm-40 -89.72 -27.87 19.78 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 115.803 -0.635 . . . . 74.4 112.645 -177.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.591 ' HA ' HD23 ' A' ' 65' ' ' LEU . 3.8 pp -70.06 -32.12 70.06 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.541 -0.911 . . . . 54.15 108.541 174.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 24.6 mmmt -52.58 -38.88 60.83 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 114.362 -1.29 . . . . 75.24 111.194 169.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 34.0 mmtp -59.19 -33.44 70.95 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.453 0.471 . . . . 51.13 110.857 -177.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -61.58 -48.65 80.01 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.751 0.657 . . . . 75.5 110.616 -177.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD13 ' HB3' ' A' ' 22' ' ' LEU . 3.6 pp -80.57 -20.6 43.02 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.88 -0.6 . . . . 64.24 111.894 -178.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 5.5 mm-40 -75.27 -31.99 60.91 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.846 -0.427 . . . . 72.1 109.846 173.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 12.7 mtp180 -73.04 -36.46 66.93 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 116.309 -0.405 . . . . 61.41 110.633 173.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 66' ' ' LEU . 98.9 mt -58.36 -45.22 89.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 109.456 -0.572 . . . . 52.03 109.456 171.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -54.69 -43.97 72.96 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.698 -1.137 . . . . 64.13 110.573 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HB3' HH21 ' A' ' 75' ' ' ARG . 48.2 mt-10 -54.68 -45.15 73.88 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.237 0.96 . . . . 65.24 110.046 177.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 66.5 mmtt -69.82 -51.27 35.05 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.619 1.2 . . . . 64.04 110.752 -170.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.689 HG22 HG21 ' A' ' 81' ' ' VAL . 2.3 pp -67.01 -30.3 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 115.519 -0.764 . . . . 73.43 111.219 -173.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -79.69 -44.19 21.3 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.977 0.511 . . . . 70.33 111.835 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.499 HH21 ' HB3' ' A' ' 71' ' ' GLU . 19.4 ptp180 -70.12 -26.57 64.02 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.422 0.289 . . . . 73.23 110.964 -176.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HG3' HG23 ' A' ' 45' ' ' ILE . 1.4 tt0 -84.68 -76.58 0.3 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.735 -0.839 . . . . 73.41 108.735 171.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.92 33.34 68.34 Favored Glycine 0 C--N 1.366 2.196 0 O-C-N 123.579 0.549 . . . . 73.12 112.977 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 t -100.63 -68.1 0.83 Allowed 'General case' 0 C--O 1.24 0.56 0 C-N-CA 122.914 0.486 . . . . 62.22 109.99 -173.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.9 t 176.65 -55.93 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.297 0.998 . . . . 73.32 109.955 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -81.16 88.4 6.02 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.027 0.931 . . . . 70.03 111.118 -169.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.689 HG21 HG22 ' A' ' 73' ' ' ILE . 5.2 p -141.63 131.56 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.98 0.912 . . . . 75.23 110.652 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -143.44 126.42 16.33 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.135 0.974 . . . . 72.33 109.516 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.467 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 88.2 t -100.3 114.87 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.346 1.058 . . . . 72.53 109.45 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -103.55 105.84 16.2 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.308 -0.997 . . . . 74.02 108.308 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.6 t -95.27 107.46 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 108.583 -0.895 . . . . 61.42 108.583 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.51 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 35.6 m-70 -100.45 124.33 45.83 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 107.522 -1.288 . . . . 62.22 107.522 -177.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.9 t -157.43 111.69 2.65 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.866 -0.42 . . . . 72.31 109.866 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.88 15.83 67.45 Favored Glycine 0 C--N 1.356 1.687 0 O-C-N 124.1 0.875 . . . . 64.43 113.635 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.32 -14.33 43.49 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-O 119.592 -0.56 . . . . 74.13 113.559 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -91.8 126.32 36.85 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 117.5 0.65 . . . . 74.42 110.07 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 84.8 m -113.72 111.39 21.72 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.392 0.677 . . . . 65.13 110.148 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -94.39 115.51 27.72 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.516 -0.92 . . . . 74.0 108.516 173.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.9 p -99.13 126.65 44.93 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.642 0.777 . . . . 71.05 109.779 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.467 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 89.7 m-85 -122.03 107.44 12.22 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.134 0.974 . . . . 72.01 110.684 -173.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -99.02 153.99 18.44 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 108.376 -0.972 . . . . 74.33 108.376 171.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.75 124.88 22.59 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 123.676 0.61 . . . . 71.53 110.57 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.492 -0.766 . . . . 74.3 109.285 176.642 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 109.511 -0.551 . . . . 74.33 109.511 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.68 -155.11 52.15 Favored Glycine 0 C--N 1.355 1.595 0 O-C-N 123.709 0.63 . . . . 25.32 112.357 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -136.9 115.45 11.96 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.502 -0.555 . . . . 73.41 109.502 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -78.79 164.54 24.44 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.907 0.483 . . . . 73.43 110.329 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -88.9 134.64 33.89 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.475 0.71 . . . . 74.02 109.301 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -77.92 128.96 34.74 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.107 0.963 . . . . 73.3 110.455 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -125.76 132.6 52.28 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.284 1.034 . . . . 72.43 109.052 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -146.42 160.36 42.18 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.945 0.898 . . . . 74.14 109.953 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.51 164.25 23.12 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.785 0.834 . . . . 74.23 109.12 172.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -49.64 101.44 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.943 1.297 . . . . 74.33 111.804 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.37 106.08 2.38 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.381 0.672 . . . . 63.31 109.694 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -75.04 88.01 2.38 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.522 0.677 . . . . 73.23 110.867 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -67.34 -28.82 68.29 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 114.548 -1.206 . . . . 73.31 111.371 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.27 98.77 0.06 Allowed 'General case' 0 C--N 1.354 0.788 0 O-C-N 124.231 0.957 . . . . 52.14 110.16 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' A' ' 74' ' ' GLU . 17.6 m -86.81 117.64 25.69 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.447 -0.797 . . . . 74.23 110.06 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -66.04 -29.51 69.88 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.347 1.059 . . . . 65.2 110.701 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.9 ttp -137.77 137.26 38.06 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.812 0.845 . . . . 72.14 108.787 172.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -142.45 -22.66 0.67 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.816 0.846 . . . . 64.2 110.045 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -85.12 91.99 8.26 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.362 0.665 . . . . 73.11 111.051 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -137.69 -63.77 0.57 Allowed 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.663 -1.236 . . . . 74.32 107.663 167.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.48 -20.0 62.13 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.652 174.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.454 ' HB3' HD13 ' A' ' 66' ' ' LEU . 85.9 mt -65.6 -38.14 88.63 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 123.266 0.626 . . . . 71.43 111.231 175.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 33.1 tt0 -61.98 -33.49 74.41 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.616 0.573 . . . . 71.15 110.354 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -62.31 -42.34 99.29 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.162 0.585 . . . . 63.32 110.156 172.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.97 -30.6 67.99 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.519 -0.764 . . . . 75.14 109.522 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -64.71 -47.92 76.56 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.178 0.991 . . . . 74.44 110.237 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.8 mm-40 -64.96 -36.82 85.62 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.226 0.954 . . . . 75.04 110.307 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 40.6 tp -65.06 -52.59 54.89 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.452 -0.794 . . . . 55.42 110.51 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.622 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 21.0 m-85 -62.48 -34.22 76.42 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.543 0.737 . . . . 70.21 111.135 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.87 -38.65 91.69 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.794 0.838 . . . . 73.32 111.29 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 29.2 tt0 -72.52 -24.25 61.12 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.554 0.742 . . . . 45.43 110.499 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 82.2 mt -85.96 -32.11 21.73 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 121.515 0.674 . . . . 64.52 110.2 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -59.07 -38.25 78.98 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.638 1.575 . . . . 64.4 111.691 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 12.6 pt-20 -56.37 -27.55 56.45 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 123.931 0.769 . . . . 53.31 112.263 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -116.35 -8.74 11.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.403 0.681 . . . . 74.14 111.396 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.67 36.9 93.36 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 123.278 0.466 . . . . 74.3 113.819 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 t -68.93 164.37 22.36 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.695 0.798 . . . . 72.41 111.72 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.614 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 8.6 pt-20 -74.96 100.21 4.07 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.778 -0.646 . . . . 71.33 110.647 177.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.9 mt -94.54 110.8 24.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 108.761 -0.829 . . . . 63.34 108.761 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 47.2 t -100.59 104.47 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 107.86 -1.163 . . . . 71.45 107.86 176.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.9 t -91.73 128.11 43.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 108.708 -0.849 . . . . 41.41 108.708 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 88.6 tt0 -138.78 114.4 9.83 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.343 1.057 . . . . 75.44 108.264 -170.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 41.6 t -107.98 141.02 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.004 -0.739 . . . . 62.52 109.004 177.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 88.3 m-70 -129.6 112.29 13.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.467 -1.309 . . . . 73.22 107.467 173.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.546 HG12 ' HA ' ' A' ' 81' ' ' VAL . 56.9 mt -137.52 117.52 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 117.955 0.343 . . . . 64.33 110.089 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 71.0 2.44 4.23 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.307 1.443 . . . . 65.02 113.419 172.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.03 -20.09 9.28 Favored Glycine 0 C--N 1.343 0.951 0 N-CA-C 111.794 -0.522 . . . . 53.41 111.794 -172.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -78.92 137.76 37.78 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.535 0.734 . . . . 74.33 109.196 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -121.24 153.18 37.97 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.402 0.62 . . . . 74.41 110.482 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 25.1 t0 -132.12 137.56 47.74 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.482 1.513 . . . . 64.13 106.98 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -143.19 119.12 10.61 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.736 -0.468 . . . . 74.23 109.736 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.5 mt -136.7 123.45 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 107.219 -1.4 . . . . 73.13 107.219 -176.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG3' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -115.9 119.47 36.05 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.435 -0.95 . . . . 63.01 108.435 179.694 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -122.82 139.5 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.673 0.789 . . . . 73.21 110.025 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.614 ' HG2' ' HB3' ' A' ' 38' ' ' GLU . 64.1 mtt180 -127.51 134.33 49.79 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.23 1.012 . . . . 72.51 108.725 174.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 54.53 67.47 1.01 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.446 1.098 . . . . 74.22 111.233 177.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.617 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -107.57 157.79 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 115.54 -0.755 . . . . 74.53 110.55 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.3 m -104.87 -175.57 2.83 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.498 0.719 . . . . 75.22 110.556 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -66.39 -33.35 75.51 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 114.08 1.141 . . . . 64.1 114.08 -166.649 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -87.05 -29.54 21.84 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 122.248 -0.283 . . . . 72.12 110.697 178.094 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.66 -42.85 85.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.787 -0.642 . . . . 44.21 111.11 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.645 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.6 pp -66.25 -29.16 69.34 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.759 0.424 . . . . 74.33 110.922 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HD2' HD21 ' A' ' 66' ' ' LEU . 10.1 mmmm -59.72 -33.41 71.59 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.193 -0.912 . . . . 64.43 110.962 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -66.21 -25.62 67.01 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.25 0.344 . . . . 73.11 110.638 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.1 mm? -68.3 -51.37 45.58 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.687 0.617 . . . . 62.11 110.483 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.49 HD21 ' HD2' ' A' ' 63' ' ' LYS . 3.8 pp -69.7 -26.01 64.15 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.625 0.25 . . . . 73.14 110.715 177.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 43.7 mt-10 -75.31 -22.67 57.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.37 0.668 . . . . 71.22 111.603 176.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -74.48 -41.25 61.07 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.0 0.52 . . . . 73.53 109.744 170.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.24 -42.48 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.069 0.948 . . . . 74.55 110.687 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 5.7 ppt_? -60.62 -35.88 77.23 Favored 'General case' 0 C--N 1.361 1.096 0 CA-C-N 115.717 -0.674 . . . . 61.44 111.09 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.35 -43.19 99.41 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.329 1.018 . . . . 72.34 109.542 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -64.91 -50.2 67.45 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 123.336 0.397 . . . . 73.33 110.255 -176.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.0 pt -68.55 -31.81 52.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 115.66 -0.7 . . . . 71.02 111.74 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.414 ' HB2' ' OG ' ' A' ' 15' ' ' SER . 6.2 pt-20 -87.93 -28.21 21.65 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.106 0.78 . . . . 74.03 113.106 -177.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.6 mtp-105 -77.33 -43.21 33.83 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 110.23 -0.285 . . . . 74.41 110.23 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -73.48 -54.32 8.53 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 109.403 -0.591 . . . . 62.51 109.403 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.52 25.73 61.18 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 124.212 0.945 . . . . 73.53 114.301 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.7 t -101.45 175.72 5.48 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.616 0.766 . . . . 35.32 110.301 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.8 m -73.7 -26.95 60.96 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.611 0.764 . . . . 72.12 112.082 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 4.8 mp0 -79.93 58.49 2.91 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.156 0.983 . . . . 72.31 112.632 -172.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.546 ' HA ' HG12 ' A' ' 45' ' ' ILE . 95.1 t -99.77 129.53 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.843 -0.536 . . . . 71.04 111.2 -175.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 35.4 tt0 -140.32 126.6 19.91 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.475 -0.935 . . . . 71.44 108.475 174.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 59.2 t -115.39 143.42 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 107.801 -1.185 . . . . 52.33 107.801 173.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.506 HD21 HG22 ' A' ' 93' ' ' THR . 5.8 t-20 -143.82 113.87 7.3 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.777 -0.453 . . . . 72.13 109.777 -173.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.6 t -111.81 110.86 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.437 -0.579 . . . . 62.12 109.437 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.535 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 30.3 m-70 -94.49 150.24 20.45 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.676 -1.231 . . . . 74.41 107.676 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 37.7 p -160.46 104.12 1.42 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 122.598 0.359 . . . . 73.1 110.056 173.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 65.7 -85.9 0.09 OUTLIER Glycine 0 C--N 1.345 1.083 0 O-C-N 123.564 0.54 . . . . 72.21 112.294 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.29 4.44 5.23 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-O 119.602 -0.555 . . . . 74.14 113.637 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -114.78 123.95 50.53 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 117.865 0.833 . . . . 64.54 110.277 177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.3 m -122.39 134.45 54.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.911 0.885 . . . . 74.43 109.312 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.5 m-90 -111.43 116.55 31.11 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.137 0.975 . . . . 75.01 108.947 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.506 HG22 HD21 ' A' ' 84' ' ' ASN . 40.2 p -93.32 103.18 15.44 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.778 0.831 . . . . 73.3 109.263 176.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.414 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 77.5 m-85 -91.35 108.61 20.01 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.27 -1.011 . . . . 74.22 108.27 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -100.43 148.22 24.98 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.443 0.697 . . . . 65.41 109.754 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.02 135.36 57.5 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.995 0.809 . . . . 75.51 110.378 173.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt . . . . . 0 CA--C 1.555 1.162 0 CA-C-O 118.705 -0.664 . . . . 72.42 109.6 -171.891 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 pt? . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 110.202 -0.296 . . . . 73.32 110.202 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.455 ' HB3' HD13 ' A' ' 66' ' ' LEU . 85.8 mt -69.02 -42.76 75.96 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.313 0.645 . . . . 71.41 111.274 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.65 -37.73 85.12 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 110.105 -0.332 . . . . 71.41 110.105 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mmm-85 -60.04 -30.2 69.03 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.669 0.787 . . . . 74.43 111.247 174.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 83.6 mt -77.41 -35.05 54.54 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 109.615 -0.513 . . . . 64.24 109.615 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HB2' HD22 ' A' ' 66' ' ' LEU . 25.3 ttt180 -70.23 -24.05 63.02 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 122.487 0.315 . . . . 75.24 110.984 178.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -62.31 -42.35 99.3 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.337 -0.616 . . . . 73.53 109.337 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -72.3 -38.75 68.66 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 123.962 0.788 . . . . 74.42 110.799 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -64.66 -47.04 79.9 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 122.849 0.46 . . . . 72.33 111.025 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -68.97 -30.57 69.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.572 1.149 . . . . 74.12 111.588 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.72 -53.22 35.66 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.174 0.59 . . . . 72.2 109.884 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.38 -19.99 64.66 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.184 0.994 . . . . 74.31 111.614 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.0 -17.76 58.22 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.258 1.023 . . . . 73.4 111.285 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.06 -39.67 72.4 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 123.563 0.745 . . . . 71.13 110.945 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -30.73 12.41 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 109.377 -0.601 . . . . 71.45 109.377 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.66 38.02 93.17 Favored Glycine 0 C--N 1.358 1.784 0 O-C-N 123.95 0.781 . . . . 62.15 112.976 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 t -77.49 -169.92 1.61 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.337 0.655 . . . . 54.35 110.888 -174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.24 88.6 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.857 0.863 . . . . 75.15 110.688 171.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 71.9 mt -94.43 108.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 107.443 -1.317 . . . . 73.14 107.443 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 60.4 t -104.53 107.35 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 109.13 -0.692 . . . . 73.44 109.13 -176.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.527 HG21 HD13 ' A' ' 65' ' ' LEU . 48.9 t -92.48 110.19 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 108.709 -0.849 . . . . 54.34 108.709 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 84' ' ' ASN . 9.8 tp10 -116.57 126.43 53.28 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.643 1.177 . . . . 74.33 108.87 -172.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 78.1 t -124.19 101.53 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.605 0.762 . . . . 71.03 109.007 -174.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 84.4 m-70 -96.41 110.98 23.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.027 0.931 . . . . 72.44 109.151 175.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mt -125.87 114.64 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 122.6 0.36 . . . . 60.13 110.061 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 71.68 -72.05 0.12 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 126.029 1.732 . . . . 70.34 111.5 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.16 11.06 0.26 Allowed Glycine 0 N--CA 1.471 1.015 0 CA-C-N 115.281 -0.872 . . . . 75.04 112.46 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -110.57 139.04 46.19 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 107.744 -1.206 . . . . 62.14 107.744 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 12.1 ptt180 -127.1 151.28 48.84 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.724 -0.472 . . . . 70.41 109.724 174.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.83 114.05 11.48 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.675 -0.861 . . . . 61.02 108.675 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -109.77 119.82 40.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.226 1.01 . . . . 74.45 109.254 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.4 mt -119.09 107.56 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 108.587 -0.894 . . . . 72.54 108.587 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.69 106.16 18.15 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 108.451 -0.944 . . . . 75.33 108.451 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.446 HG21 HD11 ' A' ' 65' ' ' LEU . 16.9 m -113.51 117.8 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.29 0.636 . . . . 74.12 109.489 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -121.73 110.7 16.26 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.412 -0.959 . . . . 70.34 108.412 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.7 OUTLIER 63.4 73.76 0.44 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.726 1.21 . . . . 51.42 110.421 -178.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -115.84 172.25 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.17 -0.923 . . . . 64.13 111.212 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.516 ' HB2' ' HG2' ' A' ' 61' ' ' GLU . 23.0 m -96.72 170.25 9.32 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.755 0.822 . . . . 74.1 110.659 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -27.75 66.76 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.684 0.794 . . . . 72.02 111.4 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -79.03 -19.85 50.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.337 1.055 . . . . 64.5 110.994 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' A' ' 58' ' ' SER . 27.0 mm-40 -81.37 -47.55 13.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.649 0.38 . . . . 73.43 109.98 176.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.77 -19.75 61.3 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.268 0.84 . . . . 72.5 113.268 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -63.78 -29.14 70.38 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.95 0.405 . . . . 73.41 110.016 172.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 14.8 mmmm -66.84 -26.5 66.95 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 123.23 0.612 . . . . 63.21 111.182 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD13 HG21 ' A' ' 41' ' ' VAL . 84.0 mt -61.75 -54.82 37.25 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.9 0.48 . . . . 61.35 110.556 -176.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 26' ' ' ARG . 1.9 pp -69.75 -30.55 68.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.57 0.748 . . . . 63.24 111.149 177.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.78 -14.13 61.9 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.099 0.96 . . . . 70.33 110.974 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 40.1 mtp180 -87.79 -35.16 18.01 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 121.871 -0.518 . . . . 74.43 110.773 165.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 65' ' ' LEU . 81.8 mt -63.51 -36.63 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.314 0.646 . . . . 71.32 110.861 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 34.3 ptt180 -54.81 -41.39 70.57 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 123.659 0.599 . . . . 72.15 109.801 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 45.6 mt-10 -66.7 -30.81 71.14 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.078 0.951 . . . . 71.15 109.812 -175.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -75.12 -43.4 52.89 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 115.552 -0.749 . . . . 53.3 109.168 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 pp -77.75 -19.07 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 CA-C-N 116.281 -0.418 . . . . 75.52 111.463 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 63.3 mm-40 -72.65 -51.95 17.36 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.743 0.417 . . . . 71.42 110.136 173.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.462 ' HG3' ' HG2' ' A' ' 76' ' ' GLU . 14.5 ptm180 -69.56 -35.91 75.84 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.97 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.462 ' HG2' ' HG3' ' A' ' 75' ' ' ARG . 48.1 mm-40 -94.77 -59.24 1.96 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.75 0.42 . . . . 74.35 110.593 -177.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.04 25.37 67.97 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-N 116.095 -0.502 . . . . 71.52 113.701 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.4 m -98.76 152.29 19.85 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.545 0.738 . . . . 54.43 111.176 -172.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.5 t -67.94 -26.59 66.03 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.098 0.959 . . . . 74.51 110.947 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.44 77.08 2.49 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.01 -0.737 . . . . 75.3 109.01 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 p -135.41 134.24 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.598 0.759 . . . . 62.12 109.663 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 28.0 tt0 -138.47 112.37 8.44 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.537 1.135 . . . . 75.3 108.02 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.3 t -99.59 130.36 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 107.114 -1.439 . . . . 71.52 107.114 170.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.47 ' HB3' ' HB3' ' A' ' 42' ' ' GLU . 49.4 t-20 -138.45 105.5 5.44 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.309 -0.997 . . . . 61.03 108.309 -161.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.64 123.42 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 N-CA-C 108.91 -0.774 . . . . 71.42 108.91 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 65.7 m-70 -109.98 146.99 34.32 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.964 -1.125 . . . . 71.14 107.964 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.3 p -157.61 103.6 1.93 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 109.126 -0.694 . . . . 73.35 109.126 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 59.28 33.39 75.33 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.266 -0.424 . . . . 72.31 113.151 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.35 -17.98 56.06 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-O 119.944 -0.365 . . . . 52.54 113.21 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 19.7 mt-30 -80.91 122.53 27.35 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.004 0.521 . . . . 73.42 110.405 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.2 m -116.69 139.26 50.75 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.673 0.789 . . . . 70.33 110.998 -171.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -135.6 124.14 23.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.788 1.235 . . . . 71.11 108.667 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 p -109.54 111.76 23.46 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.041 0.537 . . . . 73.31 111.077 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -96.03 109.13 21.59 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.941 1.296 . . . . 60.12 109.081 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.477 0.922 0 C-N-CA 124.002 0.921 . . . . 62.2 109.268 179.114 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 121.255 0.55 . . . . 72.05 110.524 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 66' ' ' LEU . 57.3 mt -63.47 -45.19 91.93 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.687 -1.142 . . . . 62.25 112.687 -164.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -72.37 -17.55 61.81 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.857 -0.61 . . . . 73.3 111.18 -172.29 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -61.98 -40.61 96.22 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.602 0.715 . . . . 61.31 109.53 168.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.59 -30.03 65.36 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.588 -1.187 . . . . 44.53 109.476 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -59.32 -45.7 90.59 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.23 0.331 . . . . 70.03 110.2 172.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 59.0 mm-40 -60.19 -30.84 69.62 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.759 0.662 . . . . 70.13 110.799 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.2 tp -72.49 -43.53 63.5 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.874 -0.603 . . . . 70.23 110.494 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.536 ' HB2' HD13 ' A' ' 62' ' ' LEU . 16.6 m-30 -68.47 -22.46 64.56 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.918 0.487 . . . . 71.11 110.573 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -80.3 -36.79 33.84 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.274 1.029 . . . . 73.13 109.33 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -61.93 -32.91 73.36 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.294 0.637 . . . . 73.45 109.991 171.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HA ' ' HD3' ' A' ' 35' ' ' ARG . 77.9 mt -87.68 -22.9 24.39 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.022 0.929 . . . . 71.5 111.852 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -53.63 -38.06 63.7 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.387 1.075 . . . . 61.43 112.551 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.87 -36.35 76.72 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.449 -0.796 . . . . 75.25 112.766 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.03 -26.47 16.77 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.665 -0.495 . . . . 72.13 109.665 178.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.62 24.35 64.03 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.981 0.801 . . . . 71.35 114.052 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.0 t -76.63 -177.74 4.39 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.983 0.513 . . . . 74.23 110.999 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.78 100.74 0.06 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.189 0.996 . . . . 72.31 112.219 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.456 HD12 HD11 ' A' ' 57' ' ' ILE . 59.0 mt -95.91 113.47 30.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 N-CA-C 107.874 -1.158 . . . . 64.31 107.874 172.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.488 HG22 ' HG2' ' A' ' 53' ' ' ARG . 21.4 t -107.32 105.48 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.823 -0.806 . . . . 75.41 108.823 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 65' ' ' LEU . 72.4 t -92.58 110.93 23.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.172 -1.047 . . . . 63.44 108.172 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 41.2 tt0 -118.38 108.84 15.55 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.82 0.448 . . . . 71.54 110.455 -174.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.488 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 38.8 t -96.7 102.08 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.011 0.925 . . . . 75.01 109.626 -174.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 28.3 m-70 -90.45 106.19 18.33 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 109.003 -0.74 . . . . 60.31 109.003 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 43.8 mt -127.9 119.06 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 122.91 0.484 . . . . 53.2 110.387 175.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 58.96 31.17 21.1 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.799 1.24 . . . . 64.42 112.004 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.33 -20.97 44.85 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.462 -0.79 . . . . 34.15 113.416 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.35 118.39 24.86 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.147 0.579 . . . . 73.24 110.707 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -94.59 113.04 24.8 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.582 0.706 . . . . 61.45 109.684 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 8.9 t70 -85.36 136.4 33.48 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 107.362 -1.347 . . . . 63.54 107.362 172.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -129.43 114.12 15.76 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.166 0.439 . . . . 73.43 110.215 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.417 HD13 ' HD2' ' A' ' 68' ' ' ARG . 9.6 mt -122.36 131.63 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 107.927 -1.138 . . . . 74.53 107.927 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.488 ' HG2' HG22 ' A' ' 40' ' ' VAL . 54.9 mtt180 -125.95 130.19 50.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.651 0.78 . . . . 71.31 109.371 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 65' ' ' LEU . 9.7 p -140.84 141.52 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 122.815 0.446 . . . . 73.35 111.046 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.11 139.04 53.7 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.299 1.039 . . . . 73.44 108.817 175.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.15 83.65 0.09 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.939 1.296 . . . . 75.35 111.777 172.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.616 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.1 pp -146.11 151.69 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 115.402 -0.817 . . . . 70.33 110.681 -175.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 m -97.52 178.6 5.13 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.299 1.039 . . . . 62.22 109.868 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -53.1 -49.12 67.12 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.585 1.154 . . . . 63.0 113.889 -169.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -29.82 63.04 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 118.192 0.451 . . . . 72.14 111.509 -175.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.29 -49.83 52.36 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.427 -0.806 . . . . 74.14 110.796 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.616 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.3 pp -71.52 -21.11 61.96 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.396 0.278 . . . . 72.3 110.861 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 21.9 mtpp -64.66 -27.99 69.31 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 119.527 -0.273 . . . . 72.24 111.065 171.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.47 -27.36 68.51 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 117.816 0.28 . . . . 54.21 111.004 175.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.557 ' HB3' HG21 ' A' ' 41' ' ' VAL . 57.3 mt -64.67 -47.65 77.65 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.291 0.636 . . . . 61.53 110.439 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 3.8 pp -81.34 -22.62 38.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.333 -0.848 . . . . 73.41 111.705 -177.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HG2' ' NH2' ' A' ' 70' ' ' ARG . 53.4 mt-10 -77.19 -22.28 52.66 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.124 0.57 . . . . 71.15 110.281 173.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 51.2 mtt180 -70.67 -43.89 68.18 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 122.93 0.492 . . . . 74.41 109.804 167.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.73 -40.14 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.452 0.701 . . . . 75.43 110.032 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' NH2' ' HG2' ' A' ' 67' ' ' GLU . 37.8 ttm180 -51.34 -49.85 60.61 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.322 1.049 . . . . 54.44 111.577 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.33 -38.96 85.39 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 115.173 -0.921 . . . . 75.43 110.53 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 30.0 mmtp -69.62 -49.56 52.7 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 109.988 -0.375 . . . . 72.31 109.988 -173.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.0 pt -75.47 -35.53 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 123.563 0.745 . . . . 73.52 112.29 -170.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -83.36 -44.62 14.65 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.752 0.421 . . . . 61.11 111.076 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -77.06 -18.79 57.82 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.601 0.36 . . . . 72.25 111.419 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.14 -44.64 21.57 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.441 -0.578 . . . . 75.23 109.441 165.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.54 -46.66 3.36 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.647 -0.706 . . . . 74.01 111.895 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.3 t -56.19 126.2 25.1 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.281 1.033 . . . . 75.13 110.54 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.2 p -84.35 11.75 7.9 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.56 0.744 . . . . 62.3 111.284 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 6.9 tp10 -73.56 78.29 1.47 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.839 -0.8 . . . . 63.11 108.839 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.9 118.99 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 121.809 0.814 . . . . 61.24 111.023 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 34.0 tt0 -115.87 111.53 20.59 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.687 1.595 . . . . 74.31 106.979 174.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.2 t -98.95 114.28 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 109.206 -0.664 . . . . 63.14 109.206 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.52 108.63 21.11 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.33 -0.989 . . . . 74.32 108.33 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -94.61 107.71 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 108.012 -1.107 . . . . 75.51 108.012 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.452 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 15.8 m-70 -102.03 116.19 32.16 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.751 -1.203 . . . . 75.22 107.751 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 t -143.36 112.06 6.46 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.184 -0.673 . . . . 52.11 109.184 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.01 23.83 74.46 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 124.013 0.821 . . . . 62.24 112.674 -172.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.76 -10.99 73.34 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 123.201 0.429 . . . . 73.23 113.6 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -85.32 121.98 28.84 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.147 0.579 . . . . 50.01 109.993 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 83.7 m -109.2 126.75 53.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.113 0.965 . . . . 73.34 110.05 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -117.74 116.43 27.01 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.628 -0.879 . . . . 73.41 108.628 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.6 p -99.59 106.02 17.94 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.914 0.885 . . . . 72.44 111.794 -172.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -91.99 115.57 28.18 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.141 0.976 . . . . 73.04 109.489 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.429 HD21 ' HG3' ' A' ' 82' ' ' GLU . 19.0 m-80 . . . . . 0 N--CA 1.482 1.126 0 C-N-CA 123.491 0.716 . . . . 73.5 110.341 -175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 121.725 0.774 . . . . 65.2 110.327 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 70' ' ' ARG . 75.2 mt -70.9 -28.98 64.93 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.624 -1.171 . . . . 74.24 111.384 -176.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -62.54 -30.56 71.39 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.079 0.466 . . . . 74.11 110.668 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -63.69 -41.85 98.09 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.331 -0.85 . . . . 73.04 109.359 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.0 mt -73.73 -33.13 64.21 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.715 -1.13 . . . . 70.15 109.097 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.611 ' HB2' HD11 ' A' ' 66' ' ' LEU . 33.9 ttt180 -64.39 -48.71 74.4 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.052 0.941 . . . . 74.12 111.8 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.21 -32.5 71.17 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 123.441 0.463 . . . . 74.42 111.569 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.9 tp -67.34 -48.81 66.41 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.832 -0.622 . . . . 74.35 109.593 170.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' A' ' 33' ' ' HIS . 21.2 m-30 -57.8 -30.99 66.15 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.079 0.552 . . . . 65.24 111.561 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 33' ' ' HIS . 78.6 mm-40 -73.26 -43.31 61.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.102 0.561 . . . . 73.34 109.907 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.53 -30.61 68.72 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.089 0.956 . . . . 74.42 111.152 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 51.1 mt -84.97 -45.76 11.87 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.359 -0.837 . . . . 73.45 110.508 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -66.27 -27.48 67.97 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.209 0.603 . . . . 73.04 111.329 -173.553 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.3 -26.43 62.85 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.772 -0.649 . . . . 74.22 111.247 -176.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.7 ptm180 -100.82 -15.13 17.72 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.755 0.422 . . . . 74.23 110.571 177.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.26 29.54 40.49 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.608 0.567 . . . . 73.43 113.597 172.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -84.85 156.24 21.39 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 109.358 -0.608 . . . . 54.42 109.358 171.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.82 143.93 45.74 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.788 0.435 . . . . 74.33 110.665 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.53 HD12 HD11 ' A' ' 57' ' ' ILE . 47.5 mt -117.0 109.01 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 109.086 -0.709 . . . . 74.41 109.086 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 62.5 t -97.69 106.07 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 108.361 -0.978 . . . . 73.12 108.361 173.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.411 HG11 HD11 ' A' ' 69' ' ' ILE . 48.4 t -94.06 137.85 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.3 -1.0 . . . . 74.13 108.3 177.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 78.6 tt0 -139.08 108.13 6.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 117.84 0.291 . . . . 73.01 111.035 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.535 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 58.8 t -90.73 103.82 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 124.374 1.07 . . . . 64.44 110.188 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -89.11 111.86 22.72 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.783 0.833 . . . . 62.11 109.843 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.533 HG21 ' HG3' ' A' ' 76' ' ' GLU . 45.0 mt -120.02 107.82 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 109.172 -0.677 . . . . 60.11 109.172 173.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.476 HD22 HG22 ' A' ' 45' ' ' ILE . 38.8 m-80 63.86 -71.93 0.06 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.506 1.523 . . . . 75.42 111.299 -177.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.82 -7.43 0.36 Allowed Glycine 0 N--CA 1.471 0.985 0 CA-C-N 115.901 -0.59 . . . . 64.35 113.1 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.8 143.16 31.97 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.439 0.696 . . . . 75.11 109.918 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -127.5 117.02 21.31 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.366 0.667 . . . . 73.31 109.243 173.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.535 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 19.3 t70 -97.78 110.65 23.18 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.105 -1.072 . . . . 61.13 108.105 175.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -117.13 115.26 25.0 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.747 -0.464 . . . . 72.1 109.747 -174.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.7 mt -121.89 122.92 68.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 124.448 1.099 . . . . 70.25 108.581 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.539 ' HG2' HG13 ' A' ' 40' ' ' VAL . 58.4 mtt180 -113.0 118.36 34.59 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.367 0.667 . . . . 65.14 109.5 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 65' ' ' LEU . 24.3 m -114.03 150.24 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.851 0.86 . . . . 71.0 110.23 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -134.9 116.7 15.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.795 0.838 . . . . 64.31 109.884 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.79 82.85 0.13 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.561 1.144 . . . . 75.22 111.157 -178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.573 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -123.16 162.98 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.922 0.889 . . . . 74.21 110.913 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m -102.35 -176.08 3.01 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.763 0.825 . . . . 72.12 111.226 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -60.88 -39.26 88.56 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 113.726 1.01 . . . . 74.35 113.726 -171.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -28.81 24.9 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.233 0.469 . . . . 54.55 110.004 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -61.24 -43.11 99.41 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.553 0.741 . . . . 52.23 111.674 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.4 pp -74.41 -23.74 59.0 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.555 -0.293 . . . . 61.42 110.284 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 79.0 mttt -68.31 -20.37 64.74 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 122.229 -0.294 . . . . 72.25 110.817 170.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 13.6 mmmm -70.76 -29.9 66.25 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.851 -0.796 . . . . 63.41 108.851 173.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 93.5 mt -65.95 -44.67 84.34 Favored 'General case' 0 C--N 1.368 1.375 0 N-CA-C 109.067 -0.716 . . . . 75.41 109.067 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.611 HD11 ' HB2' ' A' ' 26' ' ' ARG . 84.9 mt -58.13 -39.06 77.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.893 -1.049 . . . . 74.23 111.082 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 49.2 mt-10 -71.16 -33.76 70.32 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.761 -0.654 . . . . 74.4 111.059 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 5.6 mmp_? -67.03 -37.69 84.57 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.621 0.191 . . . . 74.05 110.888 175.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.411 HD11 HG11 ' A' ' 41' ' ' VAL . 74.4 mt -68.18 -45.5 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.687 0.795 . . . . 75.13 109.854 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.512 ' HB3' HD11 ' A' ' 22' ' ' LEU . 20.7 ptt180 -62.89 -35.43 80.0 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 116.191 -0.458 . . . . 74.43 110.036 -174.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 49.2 mm-40 -55.1 -44.58 75.05 Favored 'General case' 0 C--N 1.367 1.345 0 O-C-N 123.637 0.585 . . . . 71.11 109.607 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -69.51 -53.66 17.99 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 124.294 0.996 . . . . 73.34 110.223 -172.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.629 HG22 HG21 ' A' ' 81' ' ' VAL . 23.0 pt -67.12 -25.73 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 CA-C-N 115.654 -0.703 . . . . 75.42 111.871 -173.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -88.05 -43.22 11.87 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.642 0.608 . . . . 75.01 112.642 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 15.0 ptm180 -62.79 -39.36 93.98 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.311 0.244 . . . . 74.13 110.352 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.533 ' HG3' HG21 ' A' ' 45' ' ' ILE . 13.4 mm-40 -82.35 -57.13 3.5 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 109.615 -0.513 . . . . 75.21 109.615 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.66 10.41 84.79 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-N 115.669 -0.696 . . . . 61.33 113.274 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 p -86.45 142.62 28.27 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 123.802 0.841 . . . . 71.13 111.389 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.0 m -85.1 60.91 6.54 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.958 0.885 . . . . 60.12 109.744 170.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -148.58 29.56 0.84 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.247 -1.342 . . . . 74.33 107.87 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.629 HG21 HG22 ' A' ' 73' ' ' ILE . 2.6 p -105.21 112.74 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.965 0.888 . . . . 72.33 110.266 175.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -107.3 121.62 44.92 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.398 1.479 . . . . 73.35 107.936 170.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 59.2 t -96.29 145.05 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 106.946 -1.502 . . . . 73.4 106.946 176.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.23 109.94 11.55 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.506 -1.294 . . . . 63.12 107.506 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.5 t -91.99 130.13 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.655 -0.869 . . . . 51.51 108.655 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.607 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 11.0 m-70 -123.76 127.57 48.31 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 106.422 -1.696 . . . . 73.34 106.422 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -158.42 124.93 4.73 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.425 0.557 . . . . 73.43 110.981 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.45 28.57 71.38 Favored Glycine 0 C--N 1.354 1.549 0 O-C-N 124.036 0.835 . . . . 44.43 114.421 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.25 -20.62 49.77 Favored Glycine 0 C--N 1.346 1.091 0 CA-C-O 119.852 -0.415 . . . . 71.15 113.267 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.45 153.75 25.5 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.069 0.547 . . . . 75.33 111.138 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.7 m -141.97 132.83 25.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.423 1.089 . . . . 74.23 108.942 172.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -118.45 147.19 43.85 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.567 0.747 . . . . 64.55 109.043 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.0 m -101.32 133.88 45.24 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.64 0.776 . . . . 75.24 109.57 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.413 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 69.9 m-85 -125.84 120.53 30.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.264 1.026 . . . . 74.23 109.135 -175.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 N--CA 1.478 0.957 0 C-N-CA 123.241 0.617 . . . . 62.25 110.156 178.51 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 110.191 -0.3 . . . . 63.43 110.191 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 70' ' ' ARG . 52.0 mt -85.5 -37.13 20.04 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.794 1.405 . . . . 62.53 114.794 -166.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 40.0 tt0 -63.22 -37.23 86.41 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 118.677 0.672 . . . . 73.34 111.195 -174.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -66.73 -29.22 69.15 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 116.069 -0.514 . . . . 73.3 110.799 174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.79 -40.94 72.28 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 109.115 -0.698 . . . . 75.41 109.115 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -52.93 -50.12 64.63 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 124.192 0.933 . . . . 74.45 109.924 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 81.4 mm-40 -62.96 -37.22 86.24 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.52 1.137 . . . . 62.13 110.967 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.36 -42.01 93.23 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.266 0.626 . . . . 73.31 110.303 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.465 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 37.2 m-85 -72.99 -37.93 66.83 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.165 0.586 . . . . 73.3 110.917 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.1 -35.08 77.61 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.558 0.743 . . . . 74.22 110.129 174.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -70.42 -55.8 8.17 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.231 -0.895 . . . . 74.15 110.102 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 83.7 mt -64.63 -17.8 64.36 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.424 1.09 . . . . 73.22 112.077 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -58.43 -20.72 47.07 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 124.174 0.99 . . . . 71.31 112.003 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -56.46 -38.73 72.07 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.748 1.219 . . . . 73.03 111.705 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.443 ' HG3' HG23 ' A' ' 37' ' ' THR . 5.9 ptm180 -112.64 -20.2 11.78 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.265 1.026 . . . . 75.42 110.491 -169.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.16 37.72 87.35 Favored Glycine 0 C--N 1.352 1.434 0 O-C-N 124.138 0.899 . . . . 72.31 113.298 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.443 HG23 ' HG3' ' A' ' 35' ' ' ARG . 12.8 p -69.18 153.86 43.0 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.914 0.486 . . . . 71.23 111.001 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.16 102.17 1.62 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.047 0.927 . . . . 75.14 109.46 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.1 mt -92.48 112.92 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 114.387 -1.279 . . . . 61.53 108.867 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 41.8 t -101.56 102.84 14.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.265 -1.383 . . . . 73.54 107.265 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.2 t -93.49 110.98 24.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 108.033 -1.099 . . . . 74.32 108.033 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 14.7 tp10 -111.63 105.75 14.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.271 1.028 . . . . 75.04 108.67 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 38.1 t -89.82 134.27 29.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 N-CA-C 107.681 -1.229 . . . . 71.22 107.681 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 65.2 m170 -130.6 108.88 10.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.424 1.089 . . . . 63.02 108.785 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.492 HG12 ' HA ' ' A' ' 81' ' ' VAL . 35.1 mt -139.22 97.3 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.654 0.781 . . . . 65.43 109.843 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.451 ' ND2' ' HB3' ' A' ' 80' ' ' GLU . 23.3 m-80 56.67 26.84 11.72 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.711 1.205 . . . . 72.35 113.754 169.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.0 -26.87 8.09 Favored Glycine 0 N--CA 1.469 0.875 0 N-CA-C 111.9 -0.48 . . . . 62.25 111.9 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -78.39 107.18 10.83 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.047 0.539 . . . . 72.2 109.731 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 35.7 ptt180 -111.39 151.01 28.98 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.691 -0.686 . . . . 64.22 109.332 176.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -146.71 114.55 6.48 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.187 -0.672 . . . . 74.51 109.187 -175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.2 107.21 17.93 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.003 0.921 . . . . 72.24 109.722 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.0 mt -111.91 107.34 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.439 -0.949 . . . . 65.24 108.439 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -100.69 103.65 14.92 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 108.311 -0.996 . . . . 72.33 108.311 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.5 m -113.36 152.19 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 124.857 1.263 . . . . 54.23 108.904 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -122.19 -58.03 1.74 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.501 0.667 . . . . 53.43 109.352 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -116.58 91.77 3.68 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.034 -0.984 . . . . 53.11 108.637 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 pp -120.89 111.78 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.957 0.903 . . . . 73.13 110.323 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -77.92 174.77 10.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.748 0.819 . . . . 74.04 110.031 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -34.1 9.57 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 115.289 1.589 . . . . 73.3 115.289 -169.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -88.15 -30.08 20.07 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.994 0.518 . . . . 73.15 111.899 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -84.7 -28.53 26.29 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.997 0.74 . . . . 71.15 112.997 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.653 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.5 pp -72.58 -26.09 61.58 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.759 -0.46 . . . . 62.32 109.759 176.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.7 mmmm -52.24 -36.83 53.47 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 114.782 -1.099 . . . . 74.22 111.127 168.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 25.9 mmtp -62.36 -30.95 71.55 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.798 0.439 . . . . 64.45 111.144 -175.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.4 mm? -61.54 -46.5 89.66 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.675 0.79 . . . . 53.2 110.857 -177.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.1 pp -81.89 -29.13 32.56 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.439 -0.801 . . . . 70.23 110.835 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 44.0 mt-10 -73.25 -19.01 61.16 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.884 0.473 . . . . 64.35 111.137 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 4.1 mmp_? -70.7 -37.65 73.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.865 0.466 . . . . 61.31 110.741 166.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -72.67 -38.7 59.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 122.952 0.501 . . . . 74.11 111.181 -176.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.627 ' HB3' HD11 ' A' ' 22' ' ' LEU . 7.8 ptp85 -59.1 -42.85 91.49 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.176 0.298 . . . . 75.21 110.794 -176.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 5.8 pt-20 -64.89 -33.12 75.27 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 109.449 -0.574 . . . . 75.32 109.449 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 72.2 mmtt -65.15 -53.0 51.78 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.926 -0.768 . . . . 65.1 108.926 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 pp -66.87 -25.8 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 115.488 -0.778 . . . . 74.43 111.06 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.43 -55.03 4.21 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 123.517 0.727 . . . . 52.24 112.506 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 37.2 ptt85 -83.16 -34.31 26.02 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 112.594 0.59 . . . . 75.54 112.594 -170.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -70.24 -46.01 65.32 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.72 -1.215 . . . . 74.21 107.72 165.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.5 -29.49 2.28 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-N 115.31 -0.859 . . . . 72.02 114.613 171.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.7 m -61.06 121.02 11.41 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.552 1.141 . . . . 70.43 111.172 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 p -74.96 78.48 2.17 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.564 1.145 . . . . 55.52 111.337 -176.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.451 ' HB3' ' ND2' ' A' ' 46' ' ' ASN . 1.9 tm-20 -162.2 94.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 104.986 -2.227 . . . . 75.53 104.986 174.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.492 ' HA ' HG12 ' A' ' 45' ' ' ILE . 47.3 t -125.21 132.7 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.839 0.856 . . . . 73.33 108.97 -172.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.537 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 34.4 tt0 -141.79 108.32 5.32 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.467 0.707 . . . . 72.31 109.658 174.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -100.85 129.2 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 108.638 -0.875 . . . . 71.12 108.638 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.558 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 8.4 m120 -119.19 107.72 13.78 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.508 -0.923 . . . . 72.01 108.508 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 91' ' ' THR . 89.0 t -99.6 104.16 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 108.927 -0.768 . . . . 52.42 108.927 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.439 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 44.1 m-70 -98.84 112.54 24.6 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.018 0.927 . . . . 62.52 109.01 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.9 p -159.7 129.84 5.57 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 122.917 0.487 . . . . 74.22 110.229 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.31 30.64 77.06 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.931 0.769 . . . . 32.11 114.021 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.27 -2.36 87.87 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-O 119.879 -0.4 . . . . 60.43 113.465 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -106.2 157.66 17.41 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.693 0.797 . . . . 73.03 110.045 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 89.8 m -141.04 116.71 10.28 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 123.754 0.821 . . . . 42.54 109.622 173.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -95.66 116.65 29.16 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.173 -0.677 . . . . 74.12 109.173 174.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.6 p -99.33 104.58 16.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.426 0.69 . . . . 70.34 110.218 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -102.48 108.34 19.62 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.035 0.934 . . . . 74.55 110.181 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.3 m120 . . . . . 0 N--CA 1.472 0.634 0 C-N-CA 123.544 0.738 . . . . 65.32 109.038 173.097 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 25' ' ' LEU . 4.3 pp . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 112.309 0.485 . . . . 62.42 112.309 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.561 ' HB3' HD13 ' A' ' 66' ' ' LEU . 61.4 mt -56.21 -57.32 12.69 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 109.914 -0.402 . . . . 71.5 109.914 172.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.3 tt0 -65.34 -33.03 75.02 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.535 -1.211 . . . . 73.14 110.818 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -63.8 -37.52 87.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.637 0.775 . . . . 73.1 110.09 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 21' ' ' LEU . 9.2 mp -79.86 -30.02 40.2 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 115.847 -0.615 . . . . 53.24 110.161 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -61.8 -46.85 87.75 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.376 0.423 . . . . 60.23 109.864 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 58.5 mm-40 -62.51 -36.17 81.7 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.029 0.83 . . . . 75.31 110.483 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.08 -47.62 76.63 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.09 -0.959 . . . . 63.03 110.739 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' HB2' HD13 ' A' ' 62' ' ' LEU . 17.8 m-30 -67.04 -37.99 85.09 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.949 0.5 . . . . 74.3 110.735 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.88 -38.74 92.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.114 0.965 . . . . 64.04 110.842 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.58 -50.6 64.53 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.456 0.473 . . . . 73.23 109.736 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD13 HG12 ' A' ' 39' ' ' ILE . 64.4 mt -61.55 -30.19 70.49 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.028 0.931 . . . . 63.02 111.144 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -60.91 -17.54 51.43 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.174 1.39 . . . . 75.11 112.21 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.17 -30.86 66.74 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.378 0.671 . . . . 71.12 111.457 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -26.57 6.95 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.984 0.514 . . . . 73.04 110.856 171.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.28 50.28 3.69 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 109.505 -1.438 . . . . 64.21 109.505 -172.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.408 ' O ' HG13 ' A' ' 39' ' ' ILE . 1.5 m -55.76 157.82 3.98 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.405 1.482 . . . . 72.12 112.981 -175.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.536 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 5.0 pt-20 -58.59 86.54 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.724 0.81 . . . . 74.23 110.786 167.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.49 HG12 HD13 ' A' ' 32' ' ' LEU . 39.6 mt -94.18 110.37 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 109.072 -0.714 . . . . 62.21 109.072 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 62.1 t -114.06 104.89 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 108.951 -0.759 . . . . 74.22 108.951 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.586 HG21 ' HB3' ' A' ' 65' ' ' LEU . 57.3 t -93.15 109.79 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 N-CA-C 108.32 -0.993 . . . . 64.41 108.32 178.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -120.87 107.04 12.22 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.792 0.837 . . . . 54.14 108.839 -172.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 21.6 t -99.83 102.41 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.566 0.746 . . . . 65.05 109.733 -170.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.62 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 47.6 m-70 -91.65 97.2 10.88 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.617 0.767 . . . . 72.43 109.613 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.478 HG21 ' HG2' ' A' ' 76' ' ' GLU . 6.8 mt -117.7 113.26 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.308 0.643 . . . . 73.02 110.151 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.465 HD22 HG23 ' A' ' 45' ' ' ILE . 43.9 m-80 50.16 28.49 3.1 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.409 1.484 . . . . 72.11 113.517 173.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.77 -34.13 4.18 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 122.365 -0.209 . . . . 52.13 112.977 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -79.79 145.93 32.56 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.765 0.426 . . . . 71.22 110.369 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -121.59 121.18 36.83 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.857 0.863 . . . . 71.21 109.04 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 22.9 t70 -104.17 111.98 24.81 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.985 -1.117 . . . . 71.14 107.985 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -104.97 116.86 32.67 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.727 0.411 . . . . 62.3 110.551 -172.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.3 mt -117.43 113.29 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 107.813 -1.18 . . . . 64.15 107.813 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HG2' HG13 ' A' ' 40' ' ' VAL . 47.5 mtm180 -112.33 112.1 23.44 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 109.48 -0.563 . . . . 74.5 109.48 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HA ' HH21 ' A' ' 55' ' ' ARG . 30.8 m -131.13 152.24 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.806 1.242 . . . . 71.52 109.087 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG3' ' HA ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -121.9 -85.33 0.66 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.132 -0.692 . . . . 72.44 109.132 171.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.68 90.86 8.41 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 108.712 -0.847 . . . . 73.11 108.712 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.615 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.6 pp -117.15 174.03 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 114.421 -1.263 . . . . 71.42 109.994 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.2 m -97.36 175.61 6.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.218 0.607 . . . . 73.32 111.359 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HD3' ' H ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -73.28 -35.01 66.09 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.012 0.525 . . . . 63.25 112.011 -174.15 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -81.39 -25.14 36.51 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.927 0.394 . . . . 52.1 109.996 174.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -73.69 -37.45 65.19 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.059 -0.518 . . . . 51.2 111.501 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.615 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.5 pp -72.3 -24.05 61.27 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 122.378 -0.201 . . . . 72.31 110.853 176.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -57.47 -34.88 69.48 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 116.149 -0.478 . . . . 54.01 110.544 168.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 25.3 mmmt -63.21 -33.94 76.57 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 119.159 -0.448 . . . . 75.2 110.841 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.586 ' HB3' HG21 ' A' ' 41' ' ' VAL . 85.2 mt -56.59 -47.4 79.65 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 123.815 0.697 . . . . 64.4 111.101 -175.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 22' ' ' LEU . 3.7 pp -83.15 -27.09 30.34 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.711 -1.131 . . . . 63.21 111.255 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 53.3 mt-10 -70.24 -26.4 63.82 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.212 0.205 . . . . 64.45 111.374 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 1.3 mmp_? -65.51 -42.49 92.03 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 108.814 -0.81 . . . . 64.22 108.814 172.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.29 -47.82 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.003 0.921 . . . . 64.12 111.263 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 19.6 ptt180 -59.05 -37.67 77.58 Favored 'General case' 0 C--N 1.364 1.224 0 O-C-N 123.782 0.676 . . . . 75.14 109.971 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' HB3' ' NH2' ' A' ' 75' ' ' ARG . 44.4 mt-10 -58.89 -41.93 88.33 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.386 0.674 . . . . 71.1 110.58 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 69.4 mmtt -66.44 -53.73 32.15 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.911 0.757 . . . . 65.24 109.409 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.9 pp -66.35 -31.95 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 112.035 0.383 . . . . 72.03 112.035 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -64.3 -47.92 77.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.676 0.39 . . . . 54.04 110.352 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.501 ' NH2' ' HB3' ' A' ' 71' ' ' GLU . 6.8 ptp180 -74.29 -33.9 63.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.313 0.486 . . . . 54.43 112.313 -172.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -79.98 -53.74 6.45 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.196 0.198 . . . . 70.5 110.79 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.2 35.01 68.35 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.345 0.403 . . . . 72.42 113.641 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.4 t -99.81 -163.73 1.06 Allowed 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.313 1.045 . . . . 74.44 109.578 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 m -131.45 51.75 2.12 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.148 0.579 . . . . 63.15 110.26 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -157.26 101.35 1.89 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.749 -0.834 . . . . 73.05 108.749 171.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.83 140.37 39.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 123.978 0.911 . . . . 72.35 110.167 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.62 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 11.1 tp10 -143.08 139.17 30.36 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.015 1.326 . . . . 54.43 107.868 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 63.3 t -132.43 109.73 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.436 -0.949 . . . . 54.32 108.436 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -103.24 109.0 20.44 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.148 0.579 . . . . 74.13 109.652 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -93.8 123.54 45.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 107.519 -1.289 . . . . 75.33 107.519 170.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 25.9 m-70 -114.36 112.71 23.49 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.375 -1.343 . . . . 64.2 107.375 -177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 20.3 m -149.34 123.05 9.23 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.312 0.645 . . . . 72.15 110.704 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.424 ' H ' ' HG3' ' A' ' 38' ' ' GLU . . . 72.22 21.04 79.42 Favored Glycine 0 C--N 1.348 1.25 0 O-C-N 124.058 0.849 . . . . 42.41 113.052 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.37 -20.37 46.84 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 120.04 -0.311 . . . . 75.22 113.075 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -83.38 142.06 31.3 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.096 0.558 . . . . 74.24 110.154 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.2 m -124.62 116.48 22.47 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.391 0.676 . . . . 70.22 109.617 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -90.1 117.08 28.61 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.875 0.87 . . . . 74.11 108.964 173.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.2 p -97.46 104.65 16.69 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.496 0.718 . . . . 74.23 110.505 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.513 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 87.5 m-85 -96.79 103.22 15.13 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.482 -0.932 . . . . 71.11 108.482 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.246 0.901 0 C-N-CA 124.809 1.243 . . . . 72.41 109.38 -177.383 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.04 -0.356 . . . . 52.21 110.04 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -54.04 -56.84 14.18 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.14 0.9 . . . . 71.02 109.728 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 40.1 tt0 -65.56 -32.79 74.57 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 119.323 -0.37 . . . . 74.54 111.522 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -61.01 -32.27 71.86 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.047 0.385 . . . . 71.44 110.8 176.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -83.16 -31.24 27.26 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 109.436 -0.579 . . . . 70.44 109.436 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.598 ' HB2' HD21 ' A' ' 66' ' ' LEU . 67.6 ttp85 -64.97 -41.29 95.57 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 122.717 0.407 . . . . 74.51 109.95 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.6 mm-40 -61.34 -39.09 89.28 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.902 0.751 . . . . 54.44 109.548 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 58.9 tp -62.33 -44.87 95.48 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.265 -0.879 . . . . 72.53 110.521 174.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.529 ' HB3' HD22 ' A' ' 62' ' ' LEU . 25.7 m-85 -72.36 -26.69 62.01 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.997 0.519 . . . . 72.53 111.954 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 11.7 mm-40 -78.18 -24.55 47.16 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.465 0.706 . . . . 54.3 109.252 175.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -75.75 -32.19 59.88 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.078 0.951 . . . . 55.22 109.754 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 83.8 mt -84.35 -18.07 37.38 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 114.582 -1.19 . . . . 60.31 110.948 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 30' ' ' GLU . 3.5 t-160 -54.38 -29.88 50.08 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.516 1.127 . . . . 72.34 111.821 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.64 -36.49 80.93 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.002 0.521 . . . . 51.43 111.945 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.42 -44.16 5.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.789 0.436 . . . . 62.32 110.49 -178.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.41 39.15 97.41 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.968 0.793 . . . . 61.33 113.204 -175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 t -71.96 -173.69 1.07 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.765 0.826 . . . . 70.55 110.822 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.9 pm0 -63.5 97.29 0.14 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.359 0.6 . . . . 75.22 110.286 173.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.8 mt -95.56 109.64 22.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.501 -1.296 . . . . 74.52 107.501 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.527 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 41.5 t -112.65 106.02 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 108.296 -1.001 . . . . 72.14 108.296 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.1 109.79 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.252 -1.018 . . . . 73.4 108.252 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 63.1 tt0 -116.84 105.86 12.83 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.897 0.879 . . . . 65.45 109.282 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.51 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 59.7 t -98.07 103.39 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.454 1.102 . . . . 71.34 108.858 -170.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 63.8 m170 -87.92 104.67 16.83 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.722 0.809 . . . . 74.5 109.332 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 40.3 mt -127.2 123.59 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 109.02 -0.733 . . . . 62.15 109.02 173.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 65.36 19.04 11.55 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.222 1.009 . . . . 63.13 112.874 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.96 -19.94 45.09 Favored Glycine 0 C--N 1.35 1.324 0 C-N-CA 123.061 0.362 . . . . 41.25 112.934 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 43.8 mt-10 -83.27 152.05 25.34 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.918 0.887 . . . . 71.5 110.618 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -121.68 129.62 52.89 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 124.365 1.066 . . . . 74.42 109.539 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.51 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 24.6 t70 -107.07 107.35 18.31 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.226 -1.398 . . . . 51.53 107.226 170.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -115.31 115.4 26.57 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.958 0.503 . . . . 63.31 109.951 -167.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 10.6 mt -119.3 107.56 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 108.677 -0.86 . . . . 64.34 108.677 -175.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 126.89 34.28 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.966 -1.124 . . . . 75.21 107.966 174.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.437 HG11 HD11 ' A' ' 65' ' ' LEU . 4.8 p -139.67 139.78 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 109.143 -0.688 . . . . 63.54 109.143 172.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 35.2 mtp180 -135.72 133.17 37.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.527 0.731 . . . . 74.03 109.479 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.3 m120 59.2 80.24 0.2 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.742 1.217 . . . . 74.14 111.271 170.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 pp -144.32 166.34 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.362 0.665 . . . . 72.02 112.222 -173.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.511 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 13.2 m -83.99 173.27 11.3 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.275 1.03 . . . . 60.41 110.564 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HA ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.87 -24.37 55.72 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 111.996 0.369 . . . . 72.2 111.996 -178.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -75.31 -18.78 59.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.506 0.322 . . . . 63.13 111.051 172.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HG3' ' HB2' ' A' ' 58' ' ' SER . 27.9 mt-10 -89.56 -42.37 11.46 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.359 0.663 . . . . 74.25 110.463 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 59' ' ' LYS . 4.3 pp -69.17 -21.02 64.01 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 122.389 -0.194 . . . . 73.31 110.746 173.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -36.57 63.22 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 124.151 0.98 . . . . 74.35 110.155 171.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 14.1 mmmm -62.94 -31.01 72.01 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.612 -0.722 . . . . 71.41 110.676 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 69' ' ' ILE . 68.2 mt -61.12 -46.1 91.97 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.665 0.386 . . . . 74.5 110.035 176.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 26' ' ' ARG . 7.5 mp -58.44 -47.51 83.72 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 124.174 0.921 . . . . 71.14 110.8 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 10.0 pt-20 -70.62 -29.64 66.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.771 -0.649 . . . . 62.02 111.115 -175.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 12.9 mmp_? -64.4 -36.87 85.54 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.665 0.211 . . . . 73.44 110.57 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 65' ' ' LEU . 67.1 mt -66.79 -48.13 80.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 124.172 0.92 . . . . 64.24 109.942 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 6.9 ptm180 -60.53 -36.38 78.27 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 123.224 0.328 . . . . 72.04 110.571 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 30.4 mm-40 -59.41 -37.83 79.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.341 0.256 . . . . 74.3 110.75 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -75.11 -50.3 16.81 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.766 0.426 . . . . 74.11 110.541 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.4 pp -65.22 -29.21 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 116.242 -0.435 . . . . 72.3 111.27 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -76.48 -52.09 10.49 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.526 0.731 . . . . 73.12 110.814 176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -61.27 -44.81 96.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.965 0.906 . . . . 74.35 111.212 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.6 -41.05 69.41 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.648 0.779 . . . . 60.44 110.284 174.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.21 44.23 97.99 Favored Glycine 0 C--N 1.35 1.35 0 N-CA-C 111.456 -0.658 . . . . 60.01 111.456 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 t -123.32 150.49 43.54 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.762 0.825 . . . . 75.3 110.942 -168.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 m -97.85 2.98 49.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.03 0.932 . . . . 54.02 111.039 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 7.1 tp10 -84.61 41.42 0.85 Allowed 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.401 1.08 . . . . 62.54 110.037 -177.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.5 t -99.92 129.51 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.061 0.944 . . . . 70.34 110.406 -170.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 36.2 tt0 -139.04 106.55 5.57 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.303 -0.999 . . . . 74.41 108.303 174.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.67 113.64 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 108.398 -0.964 . . . . 74.15 108.398 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.459 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -101.27 106.39 17.58 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.028 -1.101 . . . . 70.01 108.028 -178.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.12 109.16 21.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.849 -1.167 . . . . 70.23 107.849 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.527 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 88.1 m-70 -99.5 113.1 25.28 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.818 -1.179 . . . . 75.25 107.818 -178.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.1 t -153.38 110.5 3.46 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.254 0.479 . . . . 64.34 110.247 -173.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.65 28.44 73.54 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 123.769 0.668 . . . . 43.13 112.936 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.1 -2.45 86.93 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-O 120.175 -0.236 . . . . 32.31 113.673 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -94.58 124.08 38.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.819 0.848 . . . . 74.31 109.339 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.1 m -115.87 112.47 21.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 61.02 110.133 -177.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -101.39 121.99 42.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.774 0.829 . . . . 72.4 109.249 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.5 p -104.01 115.82 31.12 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.97 0.908 . . . . 65.21 110.396 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -104.45 112.07 24.98 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.944 0.898 . . . . 75.53 110.168 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.5 m120 . . . . . 0 N--CA 1.48 1.037 0 C-N-CA 124.164 0.986 . . . . 71.34 110.811 178.696 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 109.117 -0.697 . . . . 73.32 109.117 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.3 mt -56.21 -39.29 72.25 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.326 -1.306 . . . . 65.15 111.567 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 8.9 tp10 -55.07 -42.02 72.23 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.321 1.013 . . . . 74.01 110.991 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -61.72 -34.36 75.66 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.332 -0.849 . . . . 71.05 110.944 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.51 -32.28 24.02 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.406 -0.816 . . . . 72.34 110.162 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -67.92 -37.96 82.32 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.147 0.579 . . . . 73.35 110.692 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 87.3 mm-40 -62.77 -40.02 95.98 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.303 -0.862 . . . . 73.12 110.342 175.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.81 -41.82 95.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.361 -0.836 . . . . 73.14 111.164 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.455 ' HB2' HD13 ' A' ' 62' ' ' LEU . 22.6 m-30 -65.23 -33.38 75.87 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.903 -0.589 . . . . 75.14 110.611 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.16 -37.72 84.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.76 0.824 . . . . 41.13 111.593 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 48.3 mt-10 -61.63 -37.24 83.24 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.497 0.719 . . . . 64.24 110.88 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 mt -81.53 -28.43 33.97 Favored 'General case' 0 CA--C 1.561 1.399 0 CA-C-O 121.552 0.691 . . . . 73.12 110.927 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -62.14 -35.26 78.24 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.44 1.096 . . . . 74.04 111.409 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.3 pt-20 -61.79 -28.9 69.79 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 123.399 0.437 . . . . 72.31 111.777 -177.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -108.81 -13.87 14.69 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.034 -0.53 . . . . 73.24 110.781 -170.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.92 44.47 68.13 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.813 0.696 . . . . 43.43 112.275 171.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.0 t -101.26 171.23 7.72 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 109.302 -0.629 . . . . 55.13 109.302 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -80.11 142.16 35.09 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.812 0.339 . . . . 71.24 111.012 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 57' ' ' ILE . 33.9 mt -117.1 112.56 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.499 -0.926 . . . . 60.42 108.499 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 73.3 t -101.49 101.67 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 108.818 -0.808 . . . . 45.5 108.818 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.88 111.32 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.1 -0.704 . . . . 60.24 109.1 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 43.7 tt0 -109.07 106.71 16.75 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.031 0.933 . . . . 65.25 109.284 -175.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 58.3 t -89.18 104.48 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 124.422 1.089 . . . . 71.45 109.508 -177.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 53.0 m170 -90.77 113.76 25.97 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.698 0.799 . . . . 71.22 108.868 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.43 HG21 ' HG3' ' A' ' 76' ' ' GLU . 23.8 mt -133.21 110.3 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 109.351 -0.611 . . . . 61.44 109.351 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.496 HD22 ' N ' ' A' ' 46' ' ' ASN . 0.7 OUTLIER 62.93 25.8 15.23 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.139 0.976 . . . . 64.13 112.297 170.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.9 -17.8 35.03 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 116.185 -0.461 . . . . 71.24 113.189 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 38.2 mt-10 -81.68 145.21 30.66 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.29 0.636 . . . . 70.14 110.449 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -123.39 128.82 50.4 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.361 1.064 . . . . 70.54 108.983 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.43 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 31.6 t70 -127.96 112.33 14.54 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.494 0.718 . . . . 74.14 109.354 178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -102.63 120.11 39.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.149 0.58 . . . . 75.05 109.856 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.7 mt -117.76 104.92 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.343 -0.984 . . . . 73.24 108.343 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HG2' HG22 ' A' ' 40' ' ' VAL . 75.7 mtp180 -94.27 115.1 27.3 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.575 -0.898 . . . . 75.04 108.575 176.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.58 ' HB ' HG21 ' A' ' 57' ' ' ILE . 6.8 m -112.05 105.37 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 108.349 -0.982 . . . . 65.22 108.349 170.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -95.82 107.59 19.85 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.347 -0.612 . . . . 75.14 109.347 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.445 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER 66.7 88.52 0.11 Allowed 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.404 1.065 . . . . 71.1 109.597 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.62 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.0 pp -126.93 157.48 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 115.441 -0.799 . . . . 73.31 111.108 -175.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -101.26 -177.45 3.45 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.64 0.776 . . . . 62.4 112.026 -172.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -56.76 -42.49 79.47 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.006 1.323 . . . . 72.22 113.429 -170.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -31.34 18.74 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.526 0.731 . . . . 72.14 110.938 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.65 -37.73 87.36 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.869 -0.605 . . . . 40.1 111.567 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.62 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.3 pp -66.35 -24.15 66.46 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.853 0.461 . . . . 75.43 111.645 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HA ' HD21 ' A' ' 66' ' ' LEU . 96.3 mttt -63.38 -25.86 68.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.428 0.691 . . . . 73.3 111.333 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 11.3 mmpt? -68.36 -22.68 64.65 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.738 -0.665 . . . . 74.11 112.115 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -70.77 -53.29 16.03 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.899 0.48 . . . . 71.33 111.073 -177.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -63.56 -30.49 71.6 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.441 0.463 . . . . 75.44 110.961 173.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -64.89 -38.44 90.99 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 123.101 0.56 . . . . 54.45 111.111 172.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 3.3 mmp_? -71.44 -22.62 61.81 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.772 0.429 . . . . 75.13 111.791 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 66' ' ' LEU . 63.6 mt -82.07 -47.57 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.813 0.845 . . . . 75.42 110.147 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 6.5 ppt_? -60.72 -36.32 78.54 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.135 -0.939 . . . . 61.43 111.164 -173.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -30.75 69.48 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 109.112 -0.699 . . . . 72.3 109.112 -176.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 33.6 mmtp -66.03 -57.49 7.63 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 108.423 -0.954 . . . . 72.24 108.423 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.499 HG22 HG21 ' A' ' 81' ' ' VAL . 2.4 pp -63.75 -26.59 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 O-C-N 123.461 0.476 . . . . 74.24 112.156 -172.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -78.84 -38.69 37.39 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.244 0.618 . . . . 72.43 112.219 175.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -75.27 -44.25 46.89 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 122.961 0.504 . . . . 70.03 111.878 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 45' ' ' ILE . 24.3 mm-40 -72.05 -45.36 61.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.115 0.566 . . . . 71.33 109.656 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.73 -5.14 32.35 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.136 -0.938 . . . . 13.32 113.508 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.9 p -79.66 143.44 34.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.971 0.908 . . . . 75.12 109.992 -172.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.6 t -76.4 -30.33 57.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.05 0.94 . . . . 74.04 111.097 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.5 84.98 1.13 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.621 0.769 . . . . 41.53 110.735 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.499 HG21 HG22 ' A' ' 73' ' ' ILE . 56.9 t -135.51 133.18 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.27 1.028 . . . . 74.23 109.811 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -142.59 117.41 9.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.798 1.239 . . . . 72.2 108.992 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.2 t -99.45 117.61 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.424 0.69 . . . . 62.54 109.3 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER -101.93 108.07 19.41 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.149 -1.056 . . . . 73.32 108.149 177.637 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.8 t -92.58 108.56 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 107.172 -1.418 . . . . 74.15 107.172 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.618 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 62.0 m-70 -99.76 128.91 45.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.096 0.958 . . . . 75.42 108.61 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 t -157.64 112.32 2.67 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.109 -0.7 . . . . 71.34 109.109 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.47 26.45 71.8 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 123.689 0.618 . . . . 14.4 113.124 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.24 -18.31 49.27 Favored Glycine 0 C--N 1.349 1.255 0 C-N-CA 123.056 0.36 . . . . 74.45 113.341 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 21.8 mt-30 -79.25 142.81 35.87 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.87 0.868 . . . . 74.21 109.754 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.8 m -131.73 124.7 30.28 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 122.85 0.46 . . . . 73.02 109.867 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 -106.15 113.52 27.1 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.828 -1.175 . . . . 75.33 107.828 172.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.7 p -96.2 102.69 14.52 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.268 0.627 . . . . 64.4 109.933 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -91.12 105.67 17.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.638 -1.245 . . . . 74.34 107.638 174.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.241 0.646 0 N-CA-C 109.217 -0.66 . . . . 72.25 109.217 -177.074 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 120.338 0.114 . . . . 72.41 110.808 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.489 ' HB3' HD23 ' A' ' 66' ' ' LEU . 67.5 mt -56.7 -57.78 10.92 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 124.018 0.927 . . . . 55.03 111.395 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 38.6 tt0 -66.62 -21.3 66.12 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.208 -0.451 . . . . 73.43 111.782 -174.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -65.17 -37.44 87.38 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.982 0.513 . . . . 72.22 109.954 174.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.28 -34.83 63.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.87 -0.605 . . . . 74.42 110.409 172.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.551 HH11 ' HG3' ' A' ' 30' ' ' GLU . 6.9 tmm_? -61.1 -36.67 80.31 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.118 0.567 . . . . 42.3 110.167 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 72.4 mm-40 -60.12 -45.65 92.28 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.321 0.581 . . . . 73.34 110.354 175.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.0 -37.73 88.63 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.665 -1.152 . . . . 75.35 110.94 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.45 ' HB3' HD22 ' A' ' 62' ' ' LEU . 21.7 m-30 -75.2 -28.18 59.88 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.316 0.647 . . . . 73.22 110.804 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.551 ' HG3' HH11 ' A' ' 26' ' ' ARG . 37.5 mm-40 -69.73 -32.27 70.73 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.167 0.587 . . . . 65.24 110.666 171.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 40.4 tt0 -73.28 -34.81 65.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.625 0.77 . . . . 63.54 110.963 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 93.5 mt -79.21 -19.88 49.69 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 122.746 0.418 . . . . 71.03 110.418 175.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -66.74 -23.33 66.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.078 0.551 . . . . 74.04 111.072 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 1.9 pp20? -69.07 -24.22 64.13 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-O 119.778 -0.153 . . . . 73.51 111.054 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.513 ' HD2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -114.82 -9.48 12.5 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 117.592 0.178 . . . . 70.13 110.84 174.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.92 27.83 67.58 Favored Glycine 0 C--N 1.351 1.367 0 C-N-CA 123.858 0.742 . . . . 74.32 114.858 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.413 ' HB ' ' HG2' ' A' ' 35' ' ' ARG . 7.4 t -73.72 179.9 3.95 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.422 0.689 . . . . 32.13 111.781 -171.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 9.8 pt-20 -71.92 113.17 8.67 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.01 -0.996 . . . . 63.34 110.828 174.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.486 HD12 HD11 ' A' ' 57' ' ' ILE . 61.3 mt -97.24 119.24 45.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.575 -0.898 . . . . 73.05 108.575 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 18.2 t -108.03 103.01 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.572 -0.899 . . . . 60.23 108.572 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.461 HG21 ' HB3' ' A' ' 65' ' ' LEU . 45.2 t -94.81 138.44 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 108.114 -1.069 . . . . 73.32 108.114 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 38.7 tt0 -138.3 108.29 6.36 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.978 0.354 . . . . 72.33 110.649 -173.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 41.7 t -88.88 119.4 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.579 0.752 . . . . 71.52 109.963 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -104.99 111.43 24.21 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.856 0.863 . . . . 75.52 109.924 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.1 mt -137.16 114.17 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 109.498 -0.556 . . . . 74.34 109.498 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.36 16.01 5.92 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.111 1.364 . . . . 65.5 113.683 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.94 -15.83 13.57 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 119.829 -0.429 . . . . 74.14 113.198 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.93 117.02 21.2 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.209 0.604 . . . . 74.04 110.344 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -96.19 122.61 39.23 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 108.579 -0.897 . . . . 74.51 108.579 170.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.552 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 36.0 t70 -110.8 109.27 19.4 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.353 -0.98 . . . . 75.41 108.353 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -92.72 131.94 37.36 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.389 -0.596 . . . . 53.12 109.389 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 mt -131.39 105.0 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 106.636 -1.616 . . . . 74.33 106.636 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.568 ' HG2' HG22 ' A' ' 40' ' ' VAL . 68.2 mtm180 -103.54 127.53 50.93 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.828 -0.805 . . . . 71.24 108.828 178.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -139.45 145.98 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 123.074 0.55 . . . . 44.25 109.635 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG2' ' HB3' ' A' ' 38' ' ' GLU . 68.5 mtp85 -128.14 142.94 51.04 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.215 0.606 . . . . 72.35 110.096 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 m120 51.89 77.26 0.15 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 124.9 1.375 . . . . 62.14 111.824 169.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.558 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.8 pp -140.48 145.59 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.475 0.71 . . . . 74.43 111.056 -173.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -93.79 -175.63 3.8 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.932 0.893 . . . . 55.1 111.442 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 60.0 pttt -52.33 -48.65 65.34 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.259 1.024 . . . . 71.51 112.369 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.54 -25.11 62.09 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.391 0.676 . . . . 64.22 111.427 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -83.54 -41.34 18.05 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.525 0.73 . . . . 73.14 111.119 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.558 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.6 pp -69.83 -20.47 63.43 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.404 -0.362 . . . . 62.44 110.786 176.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 11.2 mmmm -55.3 -29.81 58.97 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.325 0.65 . . . . 75.31 112.14 170.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -64.53 -32.82 74.63 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 123.363 0.414 . . . . 51.15 111.288 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.461 ' HB3' HG21 ' A' ' 41' ' ' VAL . 62.9 mt -63.62 -37.56 87.8 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.545 0.738 . . . . 74.11 110.03 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 26' ' ' ARG . 6.3 mp -65.71 -46.74 77.83 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 114.773 -1.103 . . . . 73.44 109.834 176.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 43.8 mt-10 -70.88 -23.11 62.24 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.463 -0.79 . . . . 60.12 112.005 -177.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -63.86 -41.57 97.76 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.42 0.688 . . . . 53.21 110.898 173.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.7 mt -65.5 -42.39 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 115.112 -0.949 . . . . 71.51 109.546 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 2.3 ptp180 -61.01 -38.8 87.35 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 123.781 0.675 . . . . 62.25 110.474 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 44.1 mt-10 -59.03 -35.5 73.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.409 0.684 . . . . 62.34 110.776 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HA ' ' HG2' ' A' ' 75' ' ' ARG . 17.8 mmtp -83.91 -44.45 14.24 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 116.032 -0.531 . . . . 74.14 110.926 -172.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.8 pt -70.33 -27.17 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 116.774 -0.194 . . . . 60.33 110.893 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.29 -30.14 19.86 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.224 0.61 . . . . 74.22 112.156 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 72' ' ' LYS . 3.1 ptm180 -68.36 -35.49 77.81 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 118.871 0.76 . . . . 73.23 109.738 174.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 78' ' ' SER . 10.0 tp10 -86.95 -75.94 0.38 Allowed 'General case' 0 C--N 1.349 0.548 0 N-CA-C 109.485 -0.561 . . . . 73.4 109.485 177.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.94 -20.55 31.11 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-O 119.61 -0.55 . . . . 53.32 112.413 -175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.472 ' H ' ' HG3' ' A' ' 76' ' ' GLU . 58.4 m -62.11 143.67 56.36 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.554 0.742 . . . . 41.52 111.436 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.2 m -76.79 -5.88 50.0 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.029 0.931 . . . . 73.04 111.213 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -78.51 77.17 5.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.966 1.306 . . . . 74.01 109.497 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.01 133.76 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 115.255 -0.884 . . . . 75.23 110.597 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -128.7 124.12 34.85 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.729 1.612 . . . . 71.42 107.781 172.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.96 120.48 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 108.85 -0.796 . . . . 45.15 108.85 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -103.02 146.66 28.02 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.076 -0.712 . . . . 74.02 109.076 177.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.44 142.49 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 106.963 -1.495 . . . . 61.21 106.963 169.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.604 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 22.3 m-70 -136.02 131.05 34.46 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 107.95 -1.13 . . . . 74.41 107.95 -177.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 p -159.21 136.28 9.66 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.595 -0.52 . . . . 44.53 109.595 171.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.74 -88.38 0.29 Allowed Glycine 0 C--N 1.351 1.383 0 O-C-N 123.714 0.634 . . . . 53.54 112.272 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.79 9.27 1.18 Allowed Glycine 0 N--CA 1.47 0.965 0 N-CA-C 111.72 -0.552 . . . . 71.03 111.72 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -98.96 146.35 26.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.147 0.979 . . . . 74.4 109.38 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.5 m -138.18 122.5 18.23 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.635 0.774 . . . . 72.42 110.109 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -103.36 145.54 29.83 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.597 1.159 . . . . 72.5 108.884 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.3 p -133.0 139.69 47.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.23 0.612 . . . . 72.31 109.875 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -121.99 104.64 9.66 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.098 -1.445 . . . . 74.34 107.098 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 123.0 0.52 . . . . 75.43 110.166 -177.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 119.691 -0.195 . . . . 71.22 110.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 70' ' ' ARG . 93.6 mt -49.52 -42.44 43.73 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.059 0.943 . . . . 71.52 111.051 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 11.2 tp10 -56.47 -44.25 80.41 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.143 0.902 . . . . 71.51 111.001 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -67.17 -33.68 75.92 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 114.922 -1.035 . . . . 71.43 111.302 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.03 -30.52 55.76 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.618 -0.512 . . . . 61.01 109.618 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.577 ' HB2' HD11 ' A' ' 66' ' ' LEU . 31.5 ttt180 -58.12 -53.61 56.26 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.246 1.018 . . . . 71.13 109.506 174.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 74.8 mm-40 -52.97 -43.73 66.62 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.777 1.298 . . . . 73.14 110.914 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -61.56 -49.29 77.26 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.511 -1.222 . . . . 64.2 111.04 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.27 -39.31 94.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.171 0.588 . . . . 71.13 111.797 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.84 -32.73 72.62 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.431 0.693 . . . . 51.2 111.141 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.81 -45.6 60.98 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.972 0.509 . . . . 71.21 110.782 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.5 mt -71.14 -20.33 62.32 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.631 0.772 . . . . 62.31 111.163 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -60.55 -19.71 58.12 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.499 1.12 . . . . 71.44 112.503 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.79 -32.4 72.68 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.261 0.624 . . . . 64.3 111.774 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -23.61 10.63 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.754 0.422 . . . . 73.04 110.359 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.66 41.12 99.86 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 123.721 0.638 . . . . 32.03 112.621 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 p -69.54 165.63 20.62 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.232 0.613 . . . . 75.44 110.989 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.11 98.21 0.29 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.938 -1.028 . . . . 73.33 110.331 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 63.7 mt -91.13 106.17 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.167 -1.42 . . . . 73.52 107.167 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 50.0 t -103.03 102.45 13.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 114.491 -1.231 . . . . 41.12 108.121 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 69' ' ' ILE . 56.5 t -94.68 109.83 22.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 107.66 -1.237 . . . . 73.23 107.66 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -110.41 106.9 16.41 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.381 -0.97 . . . . 74.31 108.381 -173.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.604 HG11 ' HG3' ' A' ' 72' ' ' LYS . 90.1 t -102.27 117.91 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.517 1.127 . . . . 62.21 109.535 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 26.9 m-70 -118.13 116.23 26.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.454 0.702 . . . . 75.04 109.21 176.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.492 HG22 ' ND2' ' A' ' 46' ' ' ASN . 23.6 mt -126.98 122.55 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.257 0.623 . . . . 74.21 110.027 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' HG22 ' A' ' 45' ' ' ILE . 38.4 m-80 63.95 -74.52 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.759 1.623 . . . . 64.31 110.679 -171.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.71 -3.9 0.18 Allowed Glycine 0 N--CA 1.473 1.136 0 CA-C-N 115.763 -0.653 . . . . 52.22 112.772 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -89.24 143.01 27.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.834 0.854 . . . . 72.51 109.512 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -116.62 153.44 32.27 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.859 0.863 . . . . 71.12 109.818 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -149.17 115.09 5.7 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.961 -0.563 . . . . 75.44 109.627 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -99.25 125.88 44.95 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.786 0.835 . . . . 74.33 109.284 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 mt -126.39 107.23 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 107.435 -1.321 . . . . 73.1 107.435 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.5 mtm105 -112.76 106.84 15.29 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.312 0.645 . . . . 74.51 110.176 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.476 HG11 HD21 ' A' ' 65' ' ' LEU . 30.9 m -118.72 144.51 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.748 1.219 . . . . 64.22 108.628 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -115.76 -92.15 0.52 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.161 0.437 . . . . 71.41 110.108 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -97.2 46.36 1.04 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.668 0.787 . . . . 72.51 109.469 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -59.44 165.24 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 115.149 -0.932 . . . . 74.31 111.52 172.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -78.75 164.54 24.47 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 120.972 0.415 . . . . 63.21 110.718 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.05 62.29 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.276 0.63 . . . . 71.32 111.992 -174.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -88.65 -25.61 22.31 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.626 0.77 . . . . 70.31 110.665 170.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.49 -28.7 66.29 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.067 0.547 . . . . 54.24 111.097 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.67 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.6 pp -69.0 -20.15 64.15 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 112.029 0.381 . . . . 74.43 112.029 176.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -66.48 -24.43 66.42 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.849 0.46 . . . . 71.0 110.568 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 13.5 mmmm -67.38 -24.89 65.74 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 123.715 0.806 . . . . 71.15 110.882 175.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.67 -46.17 73.12 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.2 -0.667 . . . . 71.25 109.2 174.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 26' ' ' ARG . 45.2 mt -61.44 -37.85 85.05 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.215 -0.902 . . . . 52.11 110.035 176.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.57 -38.25 90.34 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.916 1.286 . . . . 53.12 111.423 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 4.7 mmp_? -69.87 -49.1 55.63 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 116.303 -0.408 . . . . 73.21 110.093 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.507 HD11 HG11 ' A' ' 41' ' ' VAL . 79.8 mt -61.55 -43.62 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.477 0.711 . . . . 75.55 110.75 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HB3' HD11 ' A' ' 22' ' ' LEU . 13.4 ptm180 -64.63 -39.52 93.85 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 116.19 -0.459 . . . . 75.21 111.278 -176.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 2.3 pp20? -70.54 -21.25 62.74 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-O 119.344 -0.36 . . . . 74.14 110.547 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.604 ' HG3' HG11 ' A' ' 43' ' ' VAL . 70.3 mmtt -68.69 -58.49 4.16 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 107.611 -1.255 . . . . 74.24 107.611 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.15 -23.72 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 115.039 -0.982 . . . . 71.24 112.222 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -80.25 -49.75 11.16 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.856 0.862 . . . . 71.43 111.477 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 24.4 ptt180 -63.85 -37.79 88.69 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 120.992 0.425 . . . . 71.11 110.099 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -76.52 -48.55 19.07 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.841 0.857 . . . . 73.35 109.733 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.73 27.28 70.83 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.406 -0.816 . . . . 75.21 112.21 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.3 m -105.53 131.41 52.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.088 0.955 . . . . 74.12 110.039 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 m -77.75 -9.23 58.9 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.183 0.993 . . . . 65.5 111.031 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -79.94 79.92 6.41 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.514 -0.921 . . . . 74.2 108.514 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.7 141.51 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-O 121.454 0.645 . . . . 61.21 111.092 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 10.0 tp10 -135.41 137.6 42.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.382 1.473 . . . . 44.22 108.33 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 89.5 t -138.61 108.93 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 108.071 -1.085 . . . . 54.11 108.071 173.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.1 108.52 19.91 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.735 -0.839 . . . . 75.34 108.735 173.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 91' ' ' THR . 96.9 t -94.0 111.09 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.583 -0.895 . . . . 61.32 108.583 176.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 14.8 m-70 -100.39 144.7 29.08 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.208 1.003 . . . . 55.33 108.778 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.7 p -161.44 105.46 1.28 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.935 0.494 . . . . 73.25 110.463 172.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.54 16.04 58.11 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 116.005 1.162 . . . . 60.05 116.005 167.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.28 -12.61 6.03 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 117.42 0.61 . . . . 63.02 113.758 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -110.51 147.45 34.12 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 117.749 0.774 . . . . 63.32 111.252 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 96.7 m -139.44 129.61 25.24 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.65 0.78 . . . . 45.51 110.726 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.1 m-90 -110.73 127.29 55.27 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.086 0.954 . . . . 64.31 109.592 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 m -95.62 119.83 34.81 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.043 0.937 . . . . 63.13 109.295 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.563 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 79.0 m-85 -118.56 117.75 29.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.632 0.773 . . . . 74.43 109.193 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.0 m120 . . . . . 0 N--CA 1.472 0.645 0 C-N-CA 124.074 0.95 . . . . 75.14 109.611 -175.579 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' HD13 ' A' ' 25' ' ' LEU . 58.8 tp . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.7 -0.482 . . . . 73.22 109.7 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' A' ' 70' ' ' ARG . 75.3 mt -65.25 -33.93 77.16 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.492 -0.776 . . . . 65.4 111.484 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 35.4 tt0 -57.63 -44.04 85.26 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.486 0.714 . . . . 75.41 110.331 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -60.24 -33.93 72.98 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 124.132 0.895 . . . . 72.51 110.816 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 21' ' ' LEU . 9.1 mp -80.83 -32.72 35.03 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.538 -0.755 . . . . 74.4 110.001 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -65.38 -47.33 76.73 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 123.572 0.749 . . . . 63.14 109.529 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 80.8 mm-40 -54.62 -40.8 69.29 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.639 1.212 . . . . 71.01 110.351 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.7 tp -71.01 -42.01 70.13 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 115.202 -0.908 . . . . 74.33 111.272 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.531 ' HB2' HD13 ' A' ' 62' ' ' LEU . 22.3 m-85 -66.77 -35.64 80.56 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.717 0.407 . . . . 71.01 110.227 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.6 -40.17 92.39 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.918 0.887 . . . . 70.12 110.092 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 11.1 tp10 -60.99 -45.36 95.11 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.977 0.911 . . . . 74.53 110.385 177.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 35' ' ' ARG . 65.1 mt -80.0 -23.71 41.36 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.137 0.575 . . . . 62.51 111.455 -176.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -57.31 -40.49 77.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.393 1.077 . . . . 61.34 111.656 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 9.5 pt-20 -65.98 -23.21 66.54 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.543 0.572 . . . . 74.25 112.543 -175.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -101.07 -17.48 16.68 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 122.12 -0.363 . . . . 61.31 110.775 175.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.51 30.94 72.99 Favored Glycine 0 C--N 1.352 1.442 0 O-C-N 123.863 0.727 . . . . 12.25 114.253 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 t -80.83 149.86 29.38 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.352 0.661 . . . . 65.13 109.609 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 7.4 pt-20 -68.61 117.05 9.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.648 0.737 . . . . 73.41 111.685 -174.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.561 HD12 HD11 ' A' ' 57' ' ' ILE . 62.1 mt -97.53 130.44 46.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.413 1.485 . . . . 63.02 109.86 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 38.8 t -105.52 109.95 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.606 -0.886 . . . . 74.43 108.606 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.3 t -92.48 110.56 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.824 -1.176 . . . . 42.24 107.824 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -118.44 104.87 11.11 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.586 -0.524 . . . . 71.04 109.586 -172.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 27.6 t -95.15 103.18 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.194 0.998 . . . . 43.2 109.431 -175.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -99.18 111.52 23.89 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.762 1.225 . . . . 72.52 109.758 176.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.469 HG21 ' HG3' ' A' ' 76' ' ' GLU . 49.1 mt -132.09 121.25 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 109.307 -0.627 . . . . 64.24 109.307 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 m120 58.21 37.01 26.18 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.808 1.243 . . . . 72.42 112.9 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.96 -7.86 79.93 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 116.14 -0.482 . . . . 70.1 113.754 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -90.5 147.82 23.14 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.386 0.675 . . . . 61.42 110.528 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -107.2 144.67 33.63 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.045 1.338 . . . . 63.11 110.093 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.527 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 33.9 t70 -138.68 110.88 7.36 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.569 -0.9 . . . . 55.3 108.569 171.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -102.44 122.64 44.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.257 0.623 . . . . 54.42 109.857 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.81 107.52 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 107.84 -1.17 . . . . 63.54 107.84 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' HG2' HG13 ' A' ' 40' ' ' VAL . 27.8 mtp-105 -102.26 142.25 33.78 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.696 -0.483 . . . . 50.51 109.696 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.35 151.75 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.095 1.358 . . . . 54.34 108.442 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 42.8 mtp180 -105.95 -67.57 0.92 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.545 0.338 . . . . 65.11 110.382 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -117.24 103.59 10.32 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.792 0.837 . . . . 74.54 109.453 176.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 39' ' ' ILE . 1.1 pp -117.29 119.0 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.979 0.912 . . . . 71.33 110.162 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m -65.6 177.57 1.18 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.958 0.903 . . . . 61.24 112.372 -174.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -37.18 78.79 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.514 0.725 . . . . 72.51 112.909 -168.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.611 ' HA ' ' HE2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -89.92 -31.88 17.09 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.952 0.501 . . . . 73.23 110.691 175.348 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HG3' HG22 ' A' ' 57' ' ' ILE . 17.0 tp10 -68.03 -28.53 67.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.732 0.813 . . . . 62.45 111.641 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.4 pp -70.73 -27.22 63.8 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.91 0.484 . . . . 75.03 110.558 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.611 ' HE2' ' HA ' ' A' ' 60' ' ' GLU . 45.3 mtmt -69.49 -20.54 63.73 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 115.416 -0.811 . . . . 72.04 110.525 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 31.4 mmmt -70.48 -21.64 62.75 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.083 0.553 . . . . 74.23 110.412 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.1 mm? -69.83 -54.13 14.99 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.093 0.557 . . . . 73.35 110.416 176.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' A' ' 69' ' ' ILE . 3.7 pp -69.37 -19.7 63.83 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.704 -0.68 . . . . 72.33 111.384 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 25.9 tt0 -69.49 -44.17 71.64 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.454 0.702 . . . . 71.31 110.013 171.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 6.2 mmp_? -59.65 -37.22 78.14 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.497 0.319 . . . . 71.55 110.899 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 66' ' ' LEU . 78.5 mt -64.34 -46.8 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.121 0.969 . . . . 54.32 110.697 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.644 ' HB3' HD11 ' A' ' 22' ' ' LEU . 29.2 ptt180 -63.17 -33.18 74.91 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 123.618 0.574 . . . . 75.21 110.298 -177.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 32.6 mm-40 -59.16 -40.72 86.46 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 123.863 0.727 . . . . 74.1 110.046 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 22.8 mmtp -74.04 -49.19 25.3 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 123.827 0.704 . . . . 63.13 109.592 -174.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.2 pp -64.39 -32.55 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.465 0.478 . . . . 74.12 111.331 -173.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -78.29 -38.68 41.94 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.629 0.772 . . . . 74.52 110.935 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -63.37 -42.07 98.84 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.568 0.747 . . . . 72.24 111.11 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 27.5 mm-40 -69.85 -45.3 68.05 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.564 -0.743 . . . . 74.21 109.961 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.92 -24.74 6.47 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 115.623 -0.717 . . . . 73.45 112.664 -175.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 m -73.48 135.25 44.06 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.286 1.035 . . . . 61.22 110.893 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m -74.43 -20.08 60.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.109 0.964 . . . . 71.13 111.763 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -72.99 84.71 1.27 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.615 0.766 . . . . 72.12 109.794 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.5 m -127.91 145.0 35.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 123.916 0.886 . . . . 72.45 109.884 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HG3' ' HB3' ' A' ' 95' ' ' ASN . 32.2 tt0 -142.97 108.01 4.94 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.886 0.874 . . . . 63.21 109.846 -177.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.39 114.3 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.18 0.592 . . . . 63.12 109.461 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -102.37 106.66 17.47 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 107.193 -1.41 . . . . 74.34 107.193 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.37 107.81 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 108.893 -0.78 . . . . 74.43 108.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.5 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 46.4 m-70 -96.52 144.92 26.16 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.524 -1.287 . . . . 74.1 107.524 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -161.06 108.95 1.52 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.672 -0.862 . . . . 72.53 108.672 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.6 -94.31 0.34 Allowed Glycine 0 C--N 1.351 1.407 0 N-CA-C 111.675 -0.57 . . . . 62.25 111.675 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.12 3.1 4.81 Favored Glycine 0 N--CA 1.474 1.183 0 C-N-CA 123.496 0.569 . . . . 64.55 112.133 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -94.08 145.89 24.35 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.854 0.861 . . . . 73.3 110.331 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.2 m -141.59 129.45 21.8 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.118 0.567 . . . . 75.55 110.449 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 22.4 m-90 -111.82 115.64 29.37 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.435 1.094 . . . . 75.31 108.494 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.1 p -97.91 102.28 13.99 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.889 0.476 . . . . 62.42 109.722 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.99 107.06 18.94 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.002 -1.11 . . . . 74.25 108.002 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.499 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . 3.8 p30 . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.017 -0.734 . . . . 75.13 109.017 -177.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 109.233 -0.654 . . . . 50.25 109.233 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 70' ' ' ARG . 87.4 mt -61.34 -33.37 73.51 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.568 0.747 . . . . 70.42 111.919 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 36.1 tp10 -49.94 -45.44 51.22 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 124.796 1.31 . . . . 74.54 110.799 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HB2' HD12 ' A' ' 25' ' ' LEU . 8.6 mmm180 -57.93 -37.28 73.81 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.643 1.215 . . . . 75.52 111.652 -177.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 24' ' ' ARG . 6.2 mp -85.41 -36.29 20.76 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.558 -0.746 . . . . 74.12 109.701 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HB2' HD13 ' A' ' 66' ' ' LEU . 8.4 tmm_? -68.41 -37.97 80.82 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.707 0.803 . . . . 60.33 110.393 -175.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 88.7 mm-40 -61.94 -36.47 81.48 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.875 0.734 . . . . 75.32 110.656 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.5 -42.34 74.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.266 0.626 . . . . 70.1 110.626 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -63.6 -39.06 93.41 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.78 0.432 . . . . 73.24 111.171 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.34 -38.51 87.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.482 0.713 . . . . 75.2 110.51 174.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -67.04 -33.71 76.12 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.158 -0.928 . . . . 70.2 110.798 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 86.4 mt -87.99 -17.88 30.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.539 0.736 . . . . 72.41 110.758 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -58.79 -35.01 72.14 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.053 0.941 . . . . 73.23 112.213 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.93 -24.4 62.44 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.415 0.524 . . . . 62.41 112.415 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 ptm180 -97.79 -27.51 14.28 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.215 0.206 . . . . 72.42 110.913 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.11 83.07 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 113.936 0.334 . . . . 52.43 113.936 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -77.12 169.81 17.66 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.004 0.922 . . . . 74.21 110.488 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 5.9 pt-20 -71.59 100.92 2.38 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.059 0.933 . . . . 75.41 110.252 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 39.5 mt -93.69 106.87 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 107.895 -1.15 . . . . 64.21 107.895 176.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 53' ' ' ARG . 47.9 t -102.3 103.54 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.062 -1.088 . . . . 74.53 108.062 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 69' ' ' ILE . 78.6 t -103.28 117.08 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.999 -0.741 . . . . 72.34 108.999 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 28.6 tt0 -127.1 114.64 18.0 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.954 0.407 . . . . 71.33 110.795 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 t -88.93 114.34 26.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.415 1.086 . . . . 64.22 109.868 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -99.07 105.29 17.38 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.668 0.787 . . . . 75.43 109.453 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.608 HD12 ' HB3' ' A' ' 72' ' ' LYS . 12.3 mt -134.91 120.6 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 123.633 0.773 . . . . 61.11 109.532 177.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 54.8 23.16 4.66 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.024 1.33 . . . . 74.33 113.933 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.98 -25.25 16.97 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-O 120.115 -0.269 . . . . 65.23 112.714 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -83.26 147.16 28.15 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.252 0.621 . . . . 64.55 110.742 -175.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -126.02 112.84 16.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.875 0.87 . . . . 75.11 110.139 -175.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.566 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 25.1 t70 -89.67 107.27 18.99 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.443 -1.317 . . . . 74.21 107.443 172.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -103.07 118.07 35.98 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.243 -0.651 . . . . 61.34 109.243 -173.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.5 mt -127.82 133.77 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 N-CA-C 107.859 -1.163 . . . . 72.24 107.859 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' HG13 ' A' ' 40' ' ' VAL . 23.8 mtp180 -128.31 105.9 8.65 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.699 -0.852 . . . . 73.42 108.699 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.6 m -111.8 152.01 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.433 1.093 . . . . 74.54 108.593 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 76.5 mtt180 -127.62 -85.75 0.59 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.08 0.4 . . . . 63.5 109.942 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.418 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -89.17 83.19 6.5 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 108.225 -1.028 . . . . 75.11 108.225 177.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.559 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.6 pp -109.31 164.82 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 114.949 -1.023 . . . . 53.42 110.52 177.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.2 m -105.21 -178.36 3.63 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.871 0.868 . . . . 60.24 110.16 177.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.88 85.59 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 113.396 0.887 . . . . 72.31 113.396 -170.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.3 -28.41 25.31 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 118.08 0.4 . . . . 73.02 110.487 178.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.54 -44.1 95.18 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.888 -0.596 . . . . 75.2 111.241 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.626 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.4 pp -68.11 -23.91 64.97 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 122.504 0.322 . . . . 72.33 111.031 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HA ' HD21 ' A' ' 66' ' ' LEU . 98.2 mttt -64.32 -28.91 70.04 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 115.949 -0.569 . . . . 74.53 111.004 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -65.04 -20.75 66.64 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 123.503 0.502 . . . . 23.23 111.433 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.85 -59.5 3.25 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.9 0.48 . . . . 72.24 109.731 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.613 ' HA ' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -68.7 -19.02 64.36 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 119.136 -0.459 . . . . 55.24 111.922 178.78 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 11.9 mm-40 -64.97 -50.73 65.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.013 0.525 . . . . 74.44 110.457 170.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 2.0 mmp_? -58.76 -40.97 85.46 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.756 0.422 . . . . 73.41 110.867 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 66' ' ' LEU . 70.6 mt -63.13 -51.16 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.52 1.128 . . . . 72.24 111.066 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HB3' HD21 ' A' ' 22' ' ' LEU . 4.1 ppt_? -66.22 -29.69 70.0 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 115.843 -0.617 . . . . 72.4 110.901 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 40.9 mt-10 -62.83 -40.79 98.51 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.251 0.97 . . . . 73.55 109.194 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.608 ' HB3' HD12 ' A' ' 45' ' ' ILE . 44.8 mmtm -65.88 -53.45 39.45 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.084 0.865 . . . . 73.31 109.785 -175.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.1 pt -73.82 -25.75 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 N-CA-C 112.913 0.709 . . . . 62.11 112.913 -173.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.17 -39.36 41.11 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 117.836 0.289 . . . . 61.43 110.482 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -79.52 -36.85 37.84 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 120.556 0.217 . . . . 74.4 110.429 -176.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -71.41 -57.63 4.26 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.59 0.756 . . . . 65.02 109.758 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.82 -48.83 3.74 Favored Glycine 0 C--N 1.339 0.745 0 CA-C-N 115.822 -0.626 . . . . 52.51 111.989 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.1 m -52.44 118.33 3.5 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.966 0.906 . . . . 74.21 111.381 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.1 m -72.98 77.75 1.18 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.001 0.92 . . . . 72.14 110.579 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -153.53 85.39 1.19 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.523 -1.288 . . . . 73.32 107.523 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.38 129.34 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.659 -0.7 . . . . 75.21 110.263 -175.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -131.02 106.14 8.2 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.325 -0.991 . . . . 71.12 108.325 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.4 t -98.54 111.89 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 108.231 -1.025 . . . . 75.34 108.231 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.419 HD22 ' N ' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -100.25 106.25 17.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.454 -1.313 . . . . 73.03 107.454 -176.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 66.9 t -97.49 111.98 28.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 N-CA-C 107.773 -1.195 . . . . 62.03 107.773 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.506 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 27.2 m-70 -106.27 142.64 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.92 -1.141 . . . . 62.23 107.92 -177.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p -159.95 103.05 1.48 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.423 -0.584 . . . . 62.45 109.423 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 51.99 58.02 11.52 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 123.697 0.623 . . . . 72.1 113.645 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.25 -30.61 5.11 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-O 119.75 -0.472 . . . . 71.45 114.035 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -84.79 130.36 34.69 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.572 0.749 . . . . 54.41 110.69 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.1 m -134.43 128.02 32.69 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 118.421 0.555 . . . . 75.35 111.431 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -112.28 119.1 37.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.832 1.253 . . . . 75.15 108.928 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.3 p -95.58 102.57 14.39 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.47 -0.567 . . . . 72.13 109.47 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.5 130.39 35.84 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.159 0.984 . . . . 75.43 109.596 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--O 1.24 0.577 0 C-N-CA 123.029 0.532 . . . . 74.44 110.214 -179.162 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 112.246 0.462 . . . . 70.3 112.246 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.586 ' HB3' HD13 ' A' ' 66' ' ' LEU . 55.3 mt -65.38 -44.66 86.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.142 0.577 . . . . 70.13 110.871 -178.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 35.1 tt0 -56.18 -42.2 76.74 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.77 0.669 . . . . 54.42 110.676 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -61.68 -34.79 76.36 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.202 -0.908 . . . . 75.34 110.909 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.5 mt -75.59 -42.05 53.0 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.308 0.643 . . . . 75.55 109.447 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -55.54 -44.53 76.84 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 114.885 -1.052 . . . . 72.12 111.229 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.1 mm-40 -59.42 -39.06 82.28 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.961 0.788 . . . . 74.33 111.57 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.65 -44.75 69.94 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.265 0.353 . . . . 71.2 110.781 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.575 ' HB2' HD13 ' A' ' 62' ' ' LEU . 19.4 m-85 -63.69 -36.54 84.2 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.306 -0.406 . . . . 75.35 110.786 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -72.14 -28.75 63.46 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.501 0.72 . . . . 53.41 110.653 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -64.28 -36.86 85.46 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.227 0.611 . . . . 70.44 109.889 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD21 ' CH2' ' A' ' 92' ' ' TRP . 69.9 mt -77.54 -29.91 52.54 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.282 1.033 . . . . 64.12 111.701 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -56.35 -20.48 19.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.676 1.19 . . . . 61.31 112.947 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.36 -40.22 64.79 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.271 0.628 . . . . 75.33 112.056 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 37' ' ' THR . 3.1 ptm180 -117.97 -0.63 11.63 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.592 1.157 . . . . 61.21 110.268 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.42 -66.77 2.62 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.482 -0.781 . . . . 73.33 112.127 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.487 HG23 ' HG3' ' A' ' 35' ' ' ARG . 73.1 p 50.47 171.12 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.353 1.861 . . . . 51.4 114.971 -177.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 11.4 pt-20 -106.98 105.36 15.35 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.771 -1.104 . . . . 72.51 109.273 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.7 mt -94.71 110.45 23.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 116.023 -0.535 . . . . 64.13 109.564 -172.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -102.86 104.99 17.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 107.833 -1.173 . . . . 61.13 107.833 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.521 HG11 HD11 ' A' ' 69' ' ' ILE . 57.5 t -94.8 116.7 36.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 108.888 -0.782 . . . . 62.24 108.888 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 44.4 tt0 -111.09 106.94 16.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.617 0.767 . . . . 74.54 109.25 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.47 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 43.2 t -96.9 105.56 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.374 0.67 . . . . 60.3 109.543 -174.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.639 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 65.5 m170 -86.8 108.03 18.55 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.728 0.811 . . . . 72.33 109.293 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.4 mt -127.38 123.65 62.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 124.061 0.944 . . . . 73.23 109.144 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 m120 61.64 27.31 16.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.0 0.92 . . . . 75.34 112.22 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.26 -23.19 35.89 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 116.072 -0.513 . . . . 54.32 113.159 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -81.49 136.22 35.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.039 0.936 . . . . 64.33 111.516 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -93.54 116.01 28.52 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.367 0.603 . . . . 73.12 109.94 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 20.5 t70 -89.12 135.33 33.62 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 107.866 -1.161 . . . . 74.51 107.866 171.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -116.22 122.34 44.71 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.299 0.499 . . . . 71.13 110.886 -175.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -121.65 127.57 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 107.419 -1.326 . . . . 64.05 107.419 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -122.38 128.21 50.68 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 118.327 0.512 . . . . 75.4 109.934 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.9 142.77 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.007 -1.108 . . . . 74.43 108.007 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 33.8 mtp-105 -133.41 110.47 10.03 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.305 0.502 . . . . 62.14 110.913 -174.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.4 m120 61.18 87.76 0.09 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.042 1.337 . . . . 74.05 111.591 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.503 ' HB ' ' HB2' ' A' ' 61' ' ' GLU . 1.3 pp -139.9 172.01 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.104 0.961 . . . . 61.25 111.003 -173.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -86.26 175.29 8.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.991 0.917 . . . . 75.11 111.712 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 25.0 pttm -59.63 -33.78 71.94 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.403 0.681 . . . . 53.0 111.412 178.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 14.3 pt-20 -77.24 -26.13 52.27 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.041 0.536 . . . . 70.25 111.714 -177.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HB2' ' HB ' ' A' ' 57' ' ' ILE . 38.4 mm-40 -90.66 -26.48 19.58 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.663 0.616 . . . . 74.23 112.663 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 29' ' ' PHE . 4.3 pp -73.34 -20.35 60.8 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.741 -0.466 . . . . 70.31 109.741 171.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 60' ' ' GLU . 9.4 mtmp? -57.42 -34.73 69.22 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-N 115.965 -0.561 . . . . 75.42 109.714 168.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 30.9 mmtp -59.62 -23.57 63.1 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.725 0.41 . . . . 73.21 111.108 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' HG13 ' A' ' 69' ' ' ILE . 90.7 mt -70.72 -51.64 26.14 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.556 0.743 . . . . 64.14 110.823 177.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.3 pp -74.34 -19.43 60.46 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.101 0.561 . . . . 75.21 111.521 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 44.6 mt-10 -79.0 -30.93 44.55 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.634 0.773 . . . . 63.24 109.613 173.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 15.2 mmt180 -63.68 -45.65 89.11 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.748 -0.464 . . . . 54.23 109.748 167.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.521 HD11 HG11 ' A' ' 41' ' ' VAL . 78.2 mt -65.66 -35.62 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.98 0.912 . . . . 71.53 110.868 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 9.9 ptt180 -64.9 -35.67 81.88 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.585 -0.524 . . . . 63.11 109.585 -178.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 46.4 mt-10 -61.52 -32.81 72.87 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.427 0.632 . . . . 72.05 109.684 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 23.8 mmtp -76.83 -47.78 20.43 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.372 -0.831 . . . . 70.44 110.174 -174.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.25 -19.86 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 116.669 -0.241 . . . . 64.5 111.579 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -83.87 -56.56 3.63 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.269 0.627 . . . . 72.22 111.96 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -79.39 -46.51 17.45 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.642 0.377 . . . . 72.13 110.443 -171.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 1.2 mp0 -77.04 -46.97 21.91 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.047 -0.723 . . . . 72.41 109.047 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.71 30.28 65.56 Favored Glycine 0 C--N 1.352 1.437 0 O-C-N 123.612 0.57 . . . . 73.24 113.933 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.1 m -90.93 130.48 36.86 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.268 0.627 . . . . 32.34 110.187 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 m -71.63 -27.43 63.09 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.717 0.807 . . . . 31.24 110.657 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -81.79 74.26 8.78 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.49 1.138 . . . . 73.44 109.084 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.02 133.84 67.14 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.242 -1.345 . . . . 70.54 108.846 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 35.4 tt0 -138.83 109.47 6.61 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.636 0.774 . . . . 74.21 109.319 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.15 111.55 25.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.541 -0.911 . . . . 70.5 108.541 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 25.5 m-80 -106.45 107.5 18.54 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.236 1.014 . . . . 73.54 108.316 -176.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.4 t -94.18 114.71 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.932 -0.766 . . . . 63.44 108.932 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -107.49 140.49 40.38 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 107.693 -1.225 . . . . 63.34 107.693 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 32.5 p -159.11 103.93 1.67 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 122.957 0.503 . . . . 44.03 110.368 177.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.08 29.52 71.21 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 115.676 -0.693 . . . . 74.13 114.127 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.16 -27.63 11.48 Favored Glycine 0 C--N 1.345 1.062 0 C-N-CA 122.918 0.294 . . . . 54.42 113.114 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -79.82 142.72 35.03 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.124 0.57 . . . . 65.13 110.109 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.7 m -137.04 140.45 42.07 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.622 0.769 . . . . 74.22 110.893 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.511 ' CH2' HD21 ' A' ' 32' ' ' LEU . 28.0 m-90 -132.0 115.77 16.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.363 1.065 . . . . 74.32 108.256 173.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 p -96.03 104.22 16.15 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.611 -0.514 . . . . 74.0 109.611 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -99.86 132.59 45.12 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.485 -0.931 . . . . 72.34 108.485 175.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.7 p30 . . . . . 0 N--CA 1.474 0.749 0 C-N-CA 123.332 0.653 . . . . 54.3 109.598 179.442 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.475 0.782 0 CA-C-O 121.853 0.835 . . . . 72.13 110.031 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 70' ' ' ARG . 85.4 mt -68.83 -36.4 78.14 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 113.925 -1.489 . . . . 74.23 110.963 -173.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 13.7 tm-20 -59.73 -38.13 80.82 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.853 0.861 . . . . 74.32 110.73 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -65.03 -34.44 78.44 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.399 0.68 . . . . 65.21 111.359 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.0 -34.18 57.51 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 109.078 -0.712 . . . . 74.02 109.078 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HG3' HD11 ' A' ' 66' ' ' LEU . 26.9 ttp180 -64.01 -40.75 97.06 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.997 1.319 . . . . 73.33 109.717 -174.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 24.9 mm-40 -53.34 -53.67 47.64 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.68 1.237 . . . . 65.34 109.691 176.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.32 -41.03 92.66 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 114.517 -1.22 . . . . 61.24 111.548 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 23.1 m-85 -66.84 -39.55 87.67 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.407 -0.361 . . . . 74.33 111.235 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.98 -36.1 82.4 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.944 0.898 . . . . 74.3 110.81 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 15.9 mm-40 -65.49 -54.49 27.58 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.841 0.713 . . . . 73.24 110.64 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' HB3' HG22 ' A' ' 37' ' ' THR . 85.7 mt -70.0 -25.22 63.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.531 0.732 . . . . 75.33 111.332 -176.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.464 ' NE2' ' HA ' ' A' ' 58' ' ' SER . 9.8 t-80 -55.88 -24.56 37.85 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.974 1.309 . . . . 74.22 112.405 175.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.97 -36.74 40.59 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.212 0.605 . . . . 71.44 111.567 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -20.34 10.56 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.784 0.433 . . . . 73.33 110.36 174.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.37 55.78 14.24 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.91 -0.587 . . . . 53.4 112.262 -174.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 32' ' ' LEU . 14.1 t -69.82 159.95 32.66 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.141 0.577 . . . . 32.32 110.521 177.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.59 100.66 1.48 Allowed 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 121.888 0.851 . . . . 65.31 110.654 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.67 HD12 HD11 ' A' ' 57' ' ' ILE . 44.4 mt -95.29 110.04 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 124.234 1.014 . . . . 60.13 109.442 178.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.47 103.81 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 108.005 -1.109 . . . . 63.41 108.005 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.6 t -93.9 112.28 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 107.251 -1.389 . . . . 73.43 107.251 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 42.1 tt0 -116.05 108.18 15.88 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.528 0.68 . . . . 73.25 109.902 -172.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.496 HG11 ' HG3' ' A' ' 72' ' ' LYS . 57.5 t -91.69 105.75 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 124.834 1.254 . . . . 74.2 109.724 -174.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.581 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 33.0 m170 -92.75 100.28 12.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.04 0.936 . . . . 75.54 109.546 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.608 HG22 ' ND2' ' A' ' 46' ' ' ASN . 18.4 mt -128.53 128.88 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 109.676 -0.49 . . . . 71.13 109.676 175.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.608 ' ND2' HG22 ' A' ' 45' ' ' ILE . 51.1 m-80 63.04 21.78 13.08 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 125.021 1.328 . . . . 73.11 111.718 -176.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.88 -17.42 56.69 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 116.502 -0.317 . . . . 72.53 112.59 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -80.33 144.64 32.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.274 1.03 . . . . 74.34 110.395 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -108.15 137.0 46.89 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 123.537 0.735 . . . . 73.3 109.996 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.447 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 34.0 t70 -123.62 113.82 19.18 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.204 -1.036 . . . . 73.0 108.204 171.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.52 127.01 43.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.505 0.722 . . . . 61.22 109.182 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.15 111.45 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.022 -1.103 . . . . 72.23 108.022 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -100.79 106.12 17.49 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.213 0.53 . . . . 74.51 110.122 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.85 153.89 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.939 1.296 . . . . 62.21 108.112 174.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mtp-105 -121.02 -77.6 0.59 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.205 0.526 . . . . 73.11 110.044 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -98.46 41.23 1.14 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.268 -0.878 . . . . 74.4 110.059 -164.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.67 HD11 HD12 ' A' ' 39' ' ' ILE . 1.6 pp -62.87 114.98 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 114.905 -1.043 . . . . 45.51 111.391 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.464 ' HA ' ' NE2' ' A' ' 33' ' ' HIS . 49.9 m -77.46 -173.45 2.92 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.256 -0.883 . . . . 72.34 111.919 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -53.29 -44.83 68.59 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 113.18 0.807 . . . . 71.35 113.18 -171.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.17 -29.89 21.43 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.59 0.756 . . . . 64.41 110.909 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -71.93 -30.16 65.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.334 0.654 . . . . 52.01 112.415 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.3 pp -75.51 -25.32 57.16 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.204 0.526 . . . . 53.22 109.99 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 8.5 mtpt -60.86 -25.84 66.94 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 115.07 -0.968 . . . . 62.43 111.205 171.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 31.0 mmmt -58.52 -34.62 71.16 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 123.443 0.464 . . . . 72.25 110.219 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 62' ' ' LEU . 3.5 mm? -69.22 -37.36 77.99 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.013 0.821 . . . . 74.14 110.469 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.541 HD11 ' HG3' ' A' ' 26' ' ' ARG . 43.2 mt -65.84 -40.98 92.29 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.421 -0.808 . . . . 73.11 109.772 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 12.7 mm-40 -71.47 -25.4 62.27 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.984 -1.007 . . . . 43.34 110.938 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 24.2 mmt180 -81.22 -20.24 41.51 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.373 0.669 . . . . 73.54 112.266 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.8 mt -86.29 -48.6 15.73 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 CA-C-O 121.257 0.551 . . . . 71.14 110.334 173.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HB3' HD11 ' A' ' 22' ' ' LEU . 15.0 ptm180 -61.39 -35.32 77.16 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 115.5 -0.773 . . . . 63.43 110.734 -174.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 13.0 pt-20 -62.44 -35.3 78.84 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 122.528 0.331 . . . . 73.42 110.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 45' ' ' ILE . 41.3 mmtm -69.85 -49.77 49.2 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.121 0.888 . . . . 62.21 109.977 -176.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.12 -21.61 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.993 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.08 -42.11 17.81 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.188 0.595 . . . . 61.32 112.235 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 13.6 ptm180 -72.36 -43.49 63.95 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 117.998 0.363 . . . . 72.34 111.005 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.437 ' HG2' ' HG3' ' A' ' 75' ' ' ARG . 16.0 mm-40 -81.49 -41.36 21.85 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.581 0.752 . . . . 55.5 110.694 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.07 15.32 64.97 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 115.462 -0.79 . . . . 70.21 112.674 -174.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -87.22 135.02 33.46 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.135 0.974 . . . . 62.44 110.111 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 m -78.6 -7.5 57.65 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 124.238 0.962 . . . . 62.13 111.124 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 19.1 mp0 -82.31 53.39 2.27 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.44 1.496 . . . . 62.33 110.348 -176.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.447 ' HA ' HG12 ' A' ' 45' ' ' ILE . 3.0 p -106.92 128.93 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.255 0.622 . . . . 73.52 111.05 -173.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 30.4 tt0 -142.8 109.86 5.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.649 0.779 . . . . 75.24 109.522 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.72 109.44 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 108.699 -0.852 . . . . 70.24 108.699 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.57 108.36 19.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.718 0.807 . . . . 73.12 108.888 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.6 104.76 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 108.509 -0.923 . . . . 73.4 108.509 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -99.48 112.89 25.02 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 107.369 -1.345 . . . . 72.11 107.369 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.569 ' HB3' ' HA ' ' A' ' 39' ' ' ILE . 34.5 p -155.56 142.03 18.64 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.452 -0.573 . . . . 75.33 109.452 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.61 -96.4 0.43 Allowed Glycine 0 C--N 1.352 1.456 0 O-C-N 124.157 0.911 . . . . 72.1 112.401 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.81 12.01 2.39 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.713 -0.555 . . . . 54.33 111.713 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -121.09 160.17 24.21 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.942 0.897 . . . . 72.44 110.874 -176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 80.4 m -132.68 114.57 14.34 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.053 0.941 . . . . 72.33 109.087 172.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 -87.95 113.2 23.37 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.268 -1.012 . . . . 62.51 108.268 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.0 m -102.71 103.81 14.08 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.236 -0.653 . . . . 71.04 109.236 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 82' ' ' GLU . 72.5 m-85 -89.55 107.0 18.83 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 107.517 -1.29 . . . . 64.33 107.517 173.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 N--CA 1.479 0.987 0 C-N-CA 123.944 0.898 . . . . 71.43 110.043 -173.318 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.862 0.363 . . . . 62.4 111.423 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.63 -45.61 74.86 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.748 0.819 . . . . 43.42 110.099 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 21.2 tp10 -56.55 -36.21 69.02 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.586 0.754 . . . . 74.2 110.664 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -61.16 -41.35 96.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.179 0.592 . . . . 70.01 110.751 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.3 -31.64 64.15 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.889 -0.596 . . . . 71.53 110.235 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.575 ' HG3' HD11 ' A' ' 62' ' ' LEU . 27.2 ttt180 -57.49 -46.81 83.31 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.595 0.559 . . . . 64.31 110.389 173.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.3 mm-40 -57.73 -30.87 65.9 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.751 0.657 . . . . 63.52 111.314 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 31' ' ' GLU . 53.1 tp -77.4 -40.59 43.14 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.884 -0.598 . . . . 54.44 110.902 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' A' ' 62' ' ' LEU . 18.4 m-85 -67.3 -25.85 66.24 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.245 0.218 . . . . 55.21 110.754 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 33' ' ' HIS . 49.2 mt-10 -80.9 -37.34 29.84 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.976 0.91 . . . . 74.2 110.242 175.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 18.2 tp10 -54.61 -34.36 61.93 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.414 1.086 . . . . 31.55 110.611 170.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD21 ' CH2' ' A' ' 92' ' ' TRP . 48.2 mt -89.88 -32.05 17.05 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.63 0.772 . . . . 72.14 111.418 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 30' ' ' GLU . 10.4 t-160 -61.38 -29.14 69.73 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.066 0.946 . . . . 74.12 111.754 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 13.1 pt-20 -65.46 -22.16 66.72 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.188 0.44 . . . . 73.23 112.188 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -19.86 13.53 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 110.12 -0.326 . . . . 73.54 110.12 170.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.18 29.42 75.29 Favored Glycine 0 C--N 1.345 1.066 0 O-C-N 123.549 0.53 . . . . 45.2 113.842 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 t -83.04 172.54 12.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.023 0.529 . . . . 62.51 110.153 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 11.7 pt-20 -66.52 117.58 8.92 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 121.89 0.853 . . . . 73.32 110.987 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.458 HD12 HD11 ' A' ' 57' ' ' ILE . 31.7 mt -101.94 108.15 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.787 1.235 . . . . 43.53 108.164 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.81 101.77 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 108.272 -1.01 . . . . 74.13 108.272 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.4 HG23 HG22 ' A' ' 39' ' ' ILE . 59.4 t -104.5 138.77 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 108.413 -0.958 . . . . 62.14 108.413 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 41.6 tt0 -136.09 132.74 36.52 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.941 -0.392 . . . . 71.31 109.941 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.597 HG11 ' HG3' ' A' ' 72' ' ' LYS . 64.9 t -87.02 137.19 21.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.198 0.999 . . . . 72.23 108.37 175.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -132.07 102.75 5.94 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.428 1.091 . . . . 54.03 109.071 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.528 HG12 ' HA ' ' A' ' 81' ' ' VAL . 55.4 mt -133.81 100.47 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.724 0.81 . . . . 55.01 108.921 174.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.443 HD22 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER 72.05 -71.43 0.13 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.514 1.525 . . . . 74.45 111.175 174.128 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.46 -18.12 0.57 Allowed Glycine 0 N--CA 1.47 0.919 0 CA-C-N 115.363 -0.835 . . . . 44.34 111.394 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -77.89 108.83 11.41 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 123.303 0.641 . . . . 71.35 109.493 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 13.3 ptm180 -120.77 115.06 22.57 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.122 -0.944 . . . . 74.14 109.426 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 23.7 t70 -116.19 110.96 19.51 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.07 -0.968 . . . . 74.42 109.395 -175.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -92.42 132.27 36.9 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.1 -0.704 . . . . 71.32 109.1 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -136.84 133.8 48.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 107.637 -1.246 . . . . 73.12 107.637 -174.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -127.71 110.86 13.06 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 118.381 0.537 . . . . 74.53 109.871 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.511 HG21 HD21 ' A' ' 65' ' ' LEU . 30.2 m -123.49 149.9 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.562 1.145 . . . . 74.23 108.596 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 33.4 mtp85 -126.43 -83.12 0.62 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 119.229 0.922 . . . . 71.2 110.985 -175.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.446 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.93 94.88 9.16 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 107.839 -1.171 . . . . 73.32 107.839 177.698 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.653 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -137.15 127.51 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 114.989 -1.005 . . . . 64.3 109.901 -174.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -73.43 177.09 5.49 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.483 0.713 . . . . 43.23 110.795 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.74 -33.37 68.39 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.237 1.199 . . . . 74.21 114.237 -168.628 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -89.41 -28.15 19.94 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 118.098 0.408 . . . . 73.12 111.371 177.553 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -67.91 -37.89 82.25 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.845 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.653 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.5 pp -73.85 -20.8 60.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.85 0.357 . . . . 74.31 110.627 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HG2' HD12 ' A' ' 66' ' ' LEU . 9.6 mtpm? -64.76 -17.66 64.37 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-O 118.318 -0.848 . . . . 75.35 111.59 171.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.79 -26.66 68.23 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 118.951 0.796 . . . . 51.42 110.716 174.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 54' ' ' VAL . 2.0 mm? -64.78 -47.05 79.55 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.375 -0.972 . . . . 63.45 108.375 172.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.48 HD12 ' HG2' ' A' ' 63' ' ' LYS . 58.2 mt -66.83 -28.26 68.22 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.54 -1.209 . . . . 70.55 111.035 178.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 27.7 mm-40 -74.37 -25.35 59.45 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 123.575 0.547 . . . . 72.25 110.376 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 65.0 mtt180 -77.91 -54.33 6.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.217 0.207 . . . . 72.42 110.609 170.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.57 -43.72 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.038 0.935 . . . . 74.14 110.254 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 ptm85 -57.09 -41.84 79.64 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.754 0.659 . . . . 71.51 111.51 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 41.0 mt-10 -59.15 -40.7 86.34 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.027 0.83 . . . . 51.44 110.445 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.597 ' HG3' HG11 ' A' ' 43' ' ' VAL . 67.2 mmtt -72.02 -48.54 43.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.891 -1.05 . . . . 75.1 108.55 -172.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.4 pt -72.49 -28.49 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 116.209 -0.45 . . . . 64.0 111.672 -175.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -85.45 -28.46 25.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.31 0.244 . . . . 71.04 111.214 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -85.98 -36.19 19.96 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.356 -0.215 . . . . 72.31 110.739 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -83.6 -53.28 5.78 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.201 0.6 . . . . 70.22 109.524 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.31 29.1 73.48 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 115.19 -0.914 . . . . 61.11 112.392 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -78.32 157.54 29.13 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.61 0.764 . . . . 73.43 111.025 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.4 p -69.19 -38.36 78.62 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.315 -0.857 . . . . 74.13 110.201 172.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.32 98.54 9.5 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 120.969 0.414 . . . . 75.53 109.907 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.528 ' HA ' HG12 ' A' ' 45' ' ' ILE . 27.2 m -125.52 122.06 61.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 107.723 -1.214 . . . . 71.4 107.723 169.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -138.01 136.29 36.76 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 120.793 0.33 . . . . 74.0 111.173 -175.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.6 t -122.28 118.28 54.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.834 0.853 . . . . 65.34 109.523 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -107.72 110.36 22.18 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.786 0.835 . . . . 62.43 109.981 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.26 134.07 48.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 109.299 -0.63 . . . . 51.3 109.299 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -133.68 112.5 11.47 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.002 -1.111 . . . . 73.12 108.002 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -159.21 126.03 4.64 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 123.046 0.216 . . . . 65.12 110.858 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.43 31.45 76.84 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 124.042 0.839 . . . . 51.21 114.058 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.5 9.46 86.44 Favored Glycine 0 C--N 1.348 1.216 0 C-N-CA 123.136 0.398 . . . . 75.31 113.677 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -113.2 146.13 39.8 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.985 0.914 . . . . 73.44 110.196 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.1 m -131.85 132.78 43.98 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.827 0.851 . . . . 71.44 110.356 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.403 ' CH2' HD21 ' A' ' 32' ' ' LEU . 23.5 m-90 -127.64 151.69 48.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.076 0.95 . . . . 75.41 109.999 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.512 HG22 HD22 ' A' ' 95' ' ' ASN . 87.9 m -134.14 104.5 6.23 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.542 0.737 . . . . 72.45 109.508 175.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -100.29 108.9 21.07 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.335 0.654 . . . . 65.52 109.693 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.512 HD22 HG22 ' A' ' 93' ' ' THR . 6.7 p30 . . . . . 0 N--CA 1.473 0.725 0 C-N-CA 124.092 0.957 . . . . 73.33 108.548 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.666 ' HB2' HH11 ' A' ' 24' ' ' ARG . 4.5 pp . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 111.676 0.25 . . . . 62.44 111.676 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 66' ' ' LEU . 91.9 mt -65.77 -27.84 68.58 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.5 -0.773 . . . . 54.51 111.283 173.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 5.7 tp10 -57.81 -41.47 82.25 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.517 0.727 . . . . 63.51 111.197 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.666 HH11 ' HB2' ' A' ' 21' ' ' LEU . 41.5 mtp180 -53.97 -29.98 45.14 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.523 1.129 . . . . 74.33 111.631 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.3 mt -87.28 -43.23 12.33 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.777 0.831 . . . . 75.53 110.505 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.707 ' HB2' HD21 ' A' ' 66' ' ' LEU . 29.7 ttp180 -60.03 -46.71 88.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.047 0.939 . . . . 71.42 111.532 -172.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 24.9 mm-40 -52.52 -46.25 66.61 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 124.875 1.359 . . . . 63.42 110.312 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.7 tp -63.89 -47.62 79.88 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.364 -0.834 . . . . 62.12 111.604 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -60.49 -31.77 70.79 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.505 0.503 . . . . 73.43 111.827 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.01 -35.88 64.42 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.516 0.726 . . . . 73.45 110.767 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 25.8 mm-40 -72.17 -19.14 61.8 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.055 0.542 . . . . 63.54 111.342 176.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 86.5 mt -90.31 -30.42 17.48 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.409 0.623 . . . . 71.14 110.428 171.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.28 -38.46 89.42 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 115.745 -0.661 . . . . 74.31 111.066 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.9 -14.76 63.22 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.893 0.701 . . . . 73.41 112.893 -176.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 3.6 ptm85 -107.87 -18.19 13.87 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 122.352 0.261 . . . . 51.41 110.356 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.41 49.45 56.54 Favored Glycine 0 C--N 1.353 1.474 0 O-C-N 123.631 0.582 . . . . 54.54 112.013 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.421 HG21 ' HB2' ' A' ' 87' ' ' SER . 11.5 t -90.66 167.65 12.36 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.45 0.7 . . . . 72.15 111.062 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 11.0 pt-20 -79.67 117.18 20.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.256 -0.884 . . . . 72.32 109.208 171.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.766 HD12 HD11 ' A' ' 57' ' ' ILE . 53.0 mt -104.12 132.88 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.781 0.832 . . . . 72.5 108.831 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 60.2 t -120.11 108.36 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 108.096 -1.076 . . . . 72.32 108.096 174.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.9 t -93.02 121.59 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.742 -0.836 . . . . 74.21 108.742 -176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 35.6 tt0 -122.35 105.56 10.3 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.171 -0.677 . . . . 61.22 109.171 -175.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -98.46 125.77 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.26 0.624 . . . . 64.14 109.517 -175.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.538 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 48.4 m-70 -115.8 115.61 26.59 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.089 0.956 . . . . 74.15 108.579 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 80' ' ' GLU . 53.0 mt -134.98 114.96 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 C-N-CA 122.91 0.484 . . . . 71.31 109.782 177.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.436 HD22 HG22 ' A' ' 45' ' ' ILE . 61.5 m-80 67.79 -63.05 0.32 Allowed 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.052 1.741 . . . . 74.01 111.534 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.65 24.63 0.1 Allowed Glycine 0 C--N 1.342 0.915 0 CA-C-N 116.262 -0.426 . . . . 52.43 112.529 174.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 8.2 mm-40 -101.13 142.55 32.42 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.786 0.834 . . . . 61.31 109.414 171.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -126.7 111.73 14.62 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-O 121.912 0.863 . . . . 71.41 109.094 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.502 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 29.9 m-20 -98.53 137.71 36.79 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.108 -1.071 . . . . 73.45 108.108 174.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -132.87 107.53 8.38 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.69 -0.485 . . . . 62.15 109.69 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.498 HG22 HG13 ' A' ' 54' ' ' VAL . 26.5 mt -114.5 107.73 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 107.965 -1.124 . . . . 74.41 107.965 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.49 104.3 16.34 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 107.989 -1.115 . . . . 61.11 107.989 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.498 HG13 HG22 ' A' ' 52' ' ' ILE . 3.1 m -112.4 105.18 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 124.33 1.052 . . . . 71.02 109.302 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.579 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 24.7 mtp-105 -103.14 126.29 50.25 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.989 -0.745 . . . . 74.35 108.989 -174.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.437 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER 59.23 32.76 22.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.647 0.779 . . . . 74.04 111.214 174.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.766 HD11 HD12 ' A' ' 39' ' ' ILE . 1.5 pp -67.83 155.7 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 116.012 -0.54 . . . . 63.03 111.636 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 m -87.32 -178.17 6.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.196 -0.911 . . . . 65.53 111.578 -170.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 38.9 ttpt -68.49 -51.59 41.6 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.589 0.755 . . . . 54.33 112.135 -170.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -27.63 55.73 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.169 0.588 . . . . 74.43 110.711 175.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 36.4 tt0 -70.52 -32.32 69.74 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.15 -0.932 . . . . 72.14 112.296 -177.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.6 pp -68.93 -26.5 65.1 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.063 0.459 . . . . 70.3 110.514 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.53 ' HA ' HD13 ' A' ' 66' ' ' LEU . 88.3 mttt -69.4 -20.62 63.81 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.551 -0.749 . . . . 62.25 110.737 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 61' ' ' GLU . 13.1 mmmm -70.06 -22.65 63.04 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 109.941 -0.392 . . . . 74.34 109.941 176.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.02 -45.08 78.6 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 109.471 -0.566 . . . . 75.25 109.471 173.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 26' ' ' ARG . 9.5 mp -58.76 -42.21 88.39 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.255 0.972 . . . . 53.13 111.375 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 11.0 pt-20 -68.84 -37.88 79.44 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 123.498 0.499 . . . . 72.43 110.744 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -58.78 -45.88 88.8 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 117.832 0.287 . . . . 62.35 111.2 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 65' ' ' LEU . 70.5 mt -65.43 -48.51 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.862 0.865 . . . . 65.22 110.372 -178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 14.4 ptm180 -64.69 -32.76 74.57 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.196 -0.457 . . . . 63.01 110.956 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 40.2 mt-10 -56.96 -43.87 82.03 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 109.117 -0.697 . . . . 74.53 109.117 173.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -68.38 -43.38 77.47 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.682 0.614 . . . . 73.33 110.91 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 70' ' ' ARG . 1.3 pp -66.09 -28.93 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 CA-C-O 121.044 0.45 . . . . 73.41 110.302 -177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -86.61 -27.08 24.08 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.337 1.055 . . . . 70.43 112.932 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 71' ' ' GLU . 94.1 mtt180 -75.9 -46.09 31.91 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.395 0.617 . . . . 62.31 109.652 175.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -74.25 -29.5 61.72 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 114.767 -1.106 . . . . 63.1 111.366 -174.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.03 -58.02 4.98 Favored Glycine 0 C--O 1.218 -0.878 0 CA-C-N 115.88 -0.6 . . . . 60.13 111.963 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -51.62 140.21 19.0 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.528 1.131 . . . . 74.12 113.088 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.2 t -78.6 0.18 27.36 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.576 0.75 . . . . 72.11 110.397 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 45' ' ' ILE . 9.8 tp10 -63.93 86.82 0.04 OUTLIER 'General case' 0 C--N 1.357 0.908 0 C-N-CA 124.67 1.188 . . . . 71.21 110.51 173.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.4 t -133.34 142.05 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 124.245 1.018 . . . . 72.33 109.487 -175.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 31.9 tt0 -142.77 105.8 4.55 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.278 1.031 . . . . 65.24 108.559 175.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.7 t -100.17 111.2 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.262 -0.644 . . . . 63.54 109.262 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 20.1 m-80 -101.57 105.13 16.05 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.004 -1.109 . . . . 73.11 108.004 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.12 117.9 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.781 -0.822 . . . . 63.2 108.781 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.532 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 76.9 m-70 -102.71 148.16 25.94 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.881 0.872 . . . . 73.04 108.727 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.421 ' HB2' HG21 ' A' ' 37' ' ' THR . 67.0 p -158.58 106.55 1.9 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.708 0.403 . . . . 74.53 110.278 175.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.05 -75.22 0.78 Allowed Glycine 0 CA--C 1.534 1.239 0 O-C-N 123.395 0.435 . . . . 63.33 112.129 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -152.96 28.65 0.81 Allowed Glycine 0 C--N 1.341 0.828 0 C-N-CA 123.477 0.56 . . . . 73.0 111.702 171.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 22.4 mt-30 -115.4 122.15 44.94 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.016 0.926 . . . . 63.11 109.912 -176.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.3 m -119.59 117.55 28.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.864 0.866 . . . . 75.51 109.701 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -108.48 115.2 29.65 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.331 0.652 . . . . 73.42 109.395 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 75.4 m -94.95 104.55 16.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.511 0.724 . . . . 73.2 109.483 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -91.23 113.28 25.5 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.003 0.921 . . . . 74.13 108.755 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--O 1.239 0.544 0 N-CA-C 106.81 -1.552 . . . . 74.12 106.81 174.126 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt . . . . . 0 N--CA 1.486 1.333 0 N-CA-C 109.656 -0.498 . . . . 71.22 109.656 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.723 ' HB3' HD13 ' A' ' 66' ' ' LEU . 75.0 mt -60.8 -32.75 72.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.202 1.001 . . . . 75.55 112.181 -174.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.4 tp10 -68.0 -32.11 72.26 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.871 0.868 . . . . 75.31 109.865 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -68.14 -27.67 66.64 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.713 -0.676 . . . . 74.51 110.153 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.81 -38.13 33.63 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 115.498 -0.773 . . . . 75.4 109.158 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -62.07 -51.29 68.55 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.942 0.897 . . . . 75.15 109.946 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 35.5 mm-40 -57.8 -45.93 85.37 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 124.182 0.926 . . . . 75.31 110.891 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 59.1 tp -62.4 -49.77 74.18 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 124.076 0.86 . . . . 64.21 111.469 -176.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' A' ' 62' ' ' LEU . 21.5 m-30 -66.86 -41.72 86.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.771 0.428 . . . . 71.22 110.787 -175.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.39 -30.49 71.31 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.384 0.673 . . . . 62.23 111.146 177.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -74.6 -36.34 62.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.347 1.059 . . . . 65.44 110.941 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 91.2 mt -81.93 -21.16 37.44 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.43 0.692 . . . . 74.14 110.772 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -63.73 -25.99 68.45 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.143 0.977 . . . . 75.33 111.545 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -27.52 69.25 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.009 0.524 . . . . 54.34 111.176 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -19.83 13.53 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.164 0.186 . . . . 73.2 110.509 173.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.04 49.68 75.86 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 123.74 0.65 . . . . 71.52 112.212 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 t -74.98 168.85 19.15 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.139 0.976 . . . . 75.01 111.655 -176.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 87' ' ' SER . 6.6 pt-20 -65.15 86.56 0.06 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 124.401 1.08 . . . . 72.43 111.411 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.95 109.64 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.716 0.807 . . . . 74.41 109.053 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 59.9 t -107.12 104.73 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.866 -1.161 . . . . 63.01 107.866 177.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.56 110.07 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 108.203 -1.036 . . . . 72.31 108.203 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 84.4 tt0 -120.17 107.84 13.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.195 0.598 . . . . 71.03 109.73 -176.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 34.8 t -88.5 137.7 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.278 1.031 . . . . 73.23 108.751 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 58.0 m170 -124.65 108.44 12.04 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.713 0.805 . . . . 75.31 108.897 178.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 81' ' ' VAL . 56.0 mt -139.82 110.59 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.152 0.981 . . . . 64.14 109.618 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 52.83 34.0 15.49 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 125.373 1.469 . . . . 65.11 112.948 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.99 -21.01 48.28 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 115.796 -0.638 . . . . 72.55 113.455 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.14 117.13 19.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 117.227 0.513 . . . . 72.14 109.779 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.52 134.48 42.33 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.047 0.451 . . . . 73.34 110.005 174.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 28.9 t70 -115.65 110.57 19.36 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 107.443 -1.317 . . . . 72.35 107.443 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -117.31 112.46 20.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.189 0.595 . . . . 74.2 110.165 -169.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.2 mt -119.24 107.63 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 108.236 -1.024 . . . . 75.4 108.236 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HG2' HG13 ' A' ' 40' ' ' VAL . 74.3 mtt180 -95.99 106.59 18.77 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.59 0.756 . . . . 63.32 109.236 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.65 152.98 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.751 1.22 . . . . 74.33 108.945 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -117.98 -80.25 0.61 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.513 -0.551 . . . . 74.23 109.513 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -104.59 57.82 0.7 Allowed 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.969 0.89 . . . . 63.21 109.088 -170.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.558 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.2 pp -70.43 -178.16 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 CA-C-N 114.123 -1.398 . . . . 74.33 110.904 173.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 m -102.88 168.2 9.37 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.694 0.798 . . . . 74.54 110.252 -177.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.576 ' HD3' ' H ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -75.23 -33.61 61.37 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.83 1.048 . . . . 73.22 113.83 -167.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.27 -28.53 21.03 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.223 0.535 . . . . 73.5 110.259 171.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -68.55 -30.37 69.15 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.232 -0.895 . . . . 53.12 112.225 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 29' ' ' PHE . 3.8 pp -71.83 -20.43 61.83 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.097 0.475 . . . . 71.42 110.966 175.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 95.0 mttt -72.61 -17.29 61.7 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.022 0.529 . . . . 72.24 110.608 174.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.502 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 13.0 mmmm -67.47 -32.81 73.9 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.024 -0.535 . . . . 70.51 110.141 168.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.89 -38.41 85.57 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.052 0.541 . . . . 73.4 111.002 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.2 pp -83.59 -30.25 27.13 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.803 0.441 . . . . 71.12 111.709 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.594 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -74.52 -19.96 60.16 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.961 -0.462 . . . . 73.43 110.237 175.608 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 4.7 mtp180 -70.93 -17.33 62.69 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.696 0.798 . . . . 71.01 111.442 169.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.48 HD13 HG21 ' A' ' 83' ' ' VAL . 52.8 mt -83.41 -47.46 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.306 0.643 . . . . 53.54 109.791 172.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.594 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 13.0 ptm180 -64.36 -37.05 86.12 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 116.105 -0.498 . . . . 73.53 111.503 -173.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.11 -32.42 70.97 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.551 0.532 . . . . 62.13 109.97 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 40.6 mmtm -74.86 -46.6 35.28 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 123.756 0.66 . . . . 64.23 110.457 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.53 -27.21 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 111.443 0.164 . . . . 75.22 111.443 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -82.34 -43.79 16.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.562 0.745 . . . . 70.35 111.401 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -64.36 -34.0 77.14 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 110.036 -0.357 . . . . 74.3 110.036 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -79.51 -56.66 4.15 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.62 -0.718 . . . . 73.14 110.452 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.16 -4.84 71.25 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.085 -0.961 . . . . 24.33 112.838 -172.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.9 m -87.03 151.11 23.55 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 123.655 0.782 . . . . 65.32 111.229 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -89.4 -11.46 43.12 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.901 -1.045 . . . . 72.31 110.403 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -71.24 93.84 1.13 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 109.561 -0.533 . . . . 70.44 109.561 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.401 ' HA ' HG12 ' A' ' 45' ' ' ILE . 5.0 p -134.67 133.51 54.39 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 C-N-CA 124.05 0.94 . . . . 71.42 109.257 176.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 39.5 tt0 -136.24 107.28 6.72 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.783 0.833 . . . . 73.05 108.774 176.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 69' ' ' ILE . 25.5 t -98.83 110.97 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 108.544 -0.91 . . . . 64.31 108.544 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.498 ' ND2' HG22 ' A' ' 93' ' ' THR . 11.0 m120 -101.17 107.35 18.73 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.11 -1.07 . . . . 62.11 108.11 177.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.8 t -95.38 106.7 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 108.042 -1.096 . . . . 74.01 108.042 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 22.0 m-70 -97.07 111.81 23.87 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 107.15 -1.426 . . . . 64.1 107.15 -177.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 18.6 m -140.5 106.87 5.27 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.297 0.499 . . . . 71.24 111.178 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.75 33.07 86.26 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 124.368 1.043 . . . . 54.5 113.934 174.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.86 -13.72 57.6 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-O 119.596 -0.558 . . . . 61.31 113.489 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -92.24 156.95 16.95 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.217 0.607 . . . . 74.5 110.259 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.2 m -142.44 114.41 8.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.413 0.685 . . . . 74.15 109.872 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -91.81 126.73 37.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.678 0.791 . . . . 71.14 109.324 173.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.498 HG22 ' ND2' ' A' ' 84' ' ' ASN . 71.2 p -102.99 107.27 18.01 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.367 0.667 . . . . 73.4 110.281 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -99.87 108.89 21.27 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.552 0.741 . . . . 74.3 109.934 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 123.784 0.833 . . . . 71.41 109.391 173.633 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.1 tp . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 109.531 -0.544 . . . . 70.51 109.531 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.79 -40.72 93.65 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 124.127 0.892 . . . . 65.15 111.082 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 36.5 tt0 -59.18 -43.55 92.17 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.53 0.519 . . . . 63.32 110.662 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -67.59 -28.49 67.81 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.437 0.695 . . . . 74.22 111.744 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.8 mt -77.97 -34.0 51.2 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.79 -0.819 . . . . 72.14 108.79 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.477 ' HB2' HD11 ' A' ' 66' ' ' LEU . 38.9 ttp180 -65.31 -44.8 86.71 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.987 -1.006 . . . . 74.43 109.355 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 30.4 mm-40 -53.54 -40.99 65.95 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.344 1.028 . . . . 73.11 110.806 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.94 -52.18 64.04 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 114.997 -1.001 . . . . 54.24 110.534 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.41 ' HB2' HD13 ' A' ' 62' ' ' LEU . 22.2 m-85 -65.33 -34.38 78.19 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.994 0.517 . . . . 74.52 111.872 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.94 -34.82 71.85 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.77 0.828 . . . . 71.12 110.32 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.86 -48.27 72.15 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.023 -0.732 . . . . 72.53 109.023 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.23 -25.71 68.18 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.358 1.063 . . . . 72.51 111.831 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -55.52 -26.2 41.59 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.334 1.054 . . . . 73.44 112.664 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.81 -31.61 68.6 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.38 0.672 . . . . 72.12 111.308 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.33 -31.5 8.16 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.93 0.492 . . . . 75.4 110.159 176.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.11 42.12 99.69 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.864 0.727 . . . . 61.44 113.136 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 t -78.37 177.01 8.81 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.293 0.637 . . . . 75.51 110.987 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.22 93.2 0.06 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.36 1.064 . . . . 74.23 112.059 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.439 ' HB ' HG23 ' A' ' 54' ' ' VAL . 47.9 mt -94.47 109.76 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 108.571 -0.9 . . . . 73.11 108.571 177.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' HG2' ' A' ' 53' ' ' ARG . 46.8 t -112.0 103.21 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 108.572 -0.899 . . . . 70.21 108.572 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -94.13 119.6 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 109.16 -0.682 . . . . 74.42 109.16 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.578 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 35.4 mt-10 -112.71 107.41 16.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.673 0.789 . . . . 70.12 110.594 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 21.5 t -93.7 98.45 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 107.852 -1.166 . . . . 61.13 107.852 175.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -89.77 106.58 18.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.012 -0.995 . . . . 64.12 109.331 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.447 HG12 ' HA ' ' A' ' 81' ' ' VAL . 38.4 mt -134.57 124.93 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.823 0.849 . . . . 75.42 109.745 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 57.63 35.59 25.84 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.805 1.242 . . . . 62.11 112.653 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.93 -21.75 35.06 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 115.66 -0.7 . . . . 64.41 113.257 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -82.91 140.96 32.54 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.84 0.856 . . . . 72.14 110.753 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -115.95 124.55 50.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.809 0.843 . . . . 74.21 110.141 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.578 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 27.6 t0 -100.65 111.27 23.48 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 108.235 -1.024 . . . . 73.02 108.235 172.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -105.34 110.82 23.31 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.711 -0.848 . . . . 74.11 108.711 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -114.67 130.09 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 106.83 -1.544 . . . . 65.33 106.83 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' HG2' HG13 ' A' ' 40' ' ' VAL . 45.9 mtp180 -122.5 114.68 21.01 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.997 -0.742 . . . . 74.22 108.997 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.549 HG21 HD11 ' A' ' 65' ' ' LEU . 27.1 m -127.57 152.34 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.796 1.238 . . . . 62.42 108.799 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -123.97 -89.15 0.59 Allowed 'General case' 0 N--CA 1.484 1.274 0 O-C-N 122.152 -0.342 . . . . 71.34 110.841 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -92.99 37.73 1.03 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.649 0.78 . . . . 61.25 110.067 -170.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.579 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pp -63.32 142.53 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.395 1.078 . . . . 72.51 112.941 -174.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 m -78.63 175.03 10.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.605 0.762 . . . . 72.2 109.944 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 58.0 pttt -57.77 -39.62 77.87 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.453 0.701 . . . . 72.34 110.821 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.41 -33.47 73.05 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.157 0.983 . . . . 65.31 111.296 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.1 -31.76 27.11 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.021 0.528 . . . . 62.04 111.334 -174.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.6 pp -76.92 -20.92 55.62 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.906 -0.496 . . . . 52.42 110.125 174.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 57.0 mtpt -64.54 -21.92 66.82 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 119.329 -0.367 . . . . 71.15 110.977 167.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 32.7 mmmt -67.92 -25.26 65.39 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 110.332 -0.247 . . . . 74.42 110.332 175.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.549 HD11 HG21 ' A' ' 54' ' ' VAL . 92.7 mt -69.22 -40.21 78.11 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.401 -0.592 . . . . 74.41 109.401 174.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 26' ' ' ARG . 38.0 mt -65.49 -33.53 76.15 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.24 -0.891 . . . . 62.43 110.543 178.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 32.2 mm-40 -61.38 -56.24 22.53 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 115.779 -0.646 . . . . 71.34 109.612 173.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 21.0 mmt180 -58.0 -43.4 86.61 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.252 -0.431 . . . . 72.34 111.89 -172.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.37 -47.15 93.23 Favored 'Isoleucine or valine' 0 C--O 1.25 1.109 0 O-C-N 123.808 0.693 . . . . 73.5 110.349 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -61.11 -39.79 91.32 Favored 'General case' 0 C--N 1.371 1.531 0 O-C-N 123.353 0.408 . . . . 53.24 110.082 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 45.3 mt-10 -62.04 -31.24 71.63 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.193 0.933 . . . . 61.43 111.198 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 36.1 mmtm -78.34 -50.63 11.42 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 109.96 -0.385 . . . . 74.0 109.96 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.9 -28.47 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 O-C-N 123.318 0.386 . . . . 74.3 111.819 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -86.6 -36.63 18.74 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.114 0.566 . . . . 53.13 111.679 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -72.72 -23.32 60.84 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.02 0.373 . . . . 73.51 110.749 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -96.12 -34.65 11.62 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.075 -0.511 . . . . 74.11 110.875 174.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.31 20.07 58.16 Favored Glycine 0 C--N 1.349 1.26 0 O-C-N 123.497 0.498 . . . . 43.43 112.911 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -106.56 142.44 36.2 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.07 0.948 . . . . 74.12 110.057 -171.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 m -74.47 -10.04 59.18 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.678 0.791 . . . . 62.32 111.428 175.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -71.38 92.25 1.06 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.314 1.046 . . . . 53.12 109.048 178.482 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.447 ' HA ' HG12 ' A' ' 45' ' ' ILE . 6.0 p -142.6 136.22 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.734 0.413 . . . . 75.52 111.512 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.41 ' HG2' ' ND2' ' A' ' 84' ' ' ASN . 22.7 tt0 -141.8 105.81 4.76 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.223 -1.028 . . . . 74.11 108.223 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.47 109.83 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.922 -0.769 . . . . 61.44 108.922 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.41 ' ND2' ' HG2' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -100.51 104.77 16.16 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.814 -1.18 . . . . 65.13 107.814 177.377 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 91' ' ' THR . 91.2 t -93.31 113.7 28.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 108.312 -0.995 . . . . 74.55 108.312 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.446 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 38.6 m-70 -94.86 148.37 22.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.668 -1.234 . . . . 72.34 107.668 174.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -161.3 101.84 1.23 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.227 -0.657 . . . . 63.33 109.227 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.26 38.9 57.73 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 124.222 0.951 . . . . 71.55 115.095 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.37 -29.72 10.63 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.841 0.32 . . . . 63.31 113.284 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -79.69 147.11 32.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.544 0.738 . . . . 74.34 110.309 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 68.3 m -143.74 115.87 8.41 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.295 0.638 . . . . 52.32 110.508 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.8 m-90 -98.06 115.05 27.45 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.492 -0.929 . . . . 63.31 108.492 172.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.3 p -92.75 103.97 16.28 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.235 0.541 . . . . 72.43 109.837 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -89.59 120.72 31.13 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.071 -1.085 . . . . 74.13 108.071 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 123.878 0.871 . . . . 71.04 110.203 -175.43 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.266 -0.272 . . . . 73.54 110.266 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 70' ' ' ARG . 82.1 mt -69.52 -25.54 64.09 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 123.631 0.582 . . . . 60.11 112.126 -178.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 42.5 tt0 -61.76 -36.63 81.58 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 110.305 -0.257 . . . . 74.31 110.305 175.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -62.94 -30.87 71.89 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.572 0.545 . . . . 74.3 109.744 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 22' ' ' LEU . 3.3 mm? -77.51 -43.18 32.97 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 115.655 -0.702 . . . . 61.42 110.127 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.603 ' HB2' HD21 ' A' ' 66' ' ' LEU . 41.5 ttm180 -58.04 -51.75 68.39 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.268 0.627 . . . . 73.24 110.971 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 30.9 mm-40 -60.01 -39.92 87.49 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.338 1.024 . . . . 72.11 110.711 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.7 tp -66.95 -42.95 84.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.204 0.602 . . . . 72.04 110.748 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -68.29 -24.24 64.84 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.866 0.466 . . . . 74.33 110.886 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.82 -32.02 52.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.481 0.712 . . . . 64.32 110.979 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 16.7 mm-40 -62.41 -34.6 77.06 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.497 0.665 . . . . 72.02 109.574 170.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 mt -87.51 -24.21 24.16 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 115.424 -0.807 . . . . 70.4 111.779 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -64.32 -32.22 73.73 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.904 0.881 . . . . 55.25 111.84 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.04 -28.75 70.31 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.044 0.538 . . . . 73.3 111.358 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -112.26 -10.16 13.84 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.213 0.605 . . . . 70.25 110.763 -175.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.08 28.18 72.47 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 123.859 0.725 . . . . 74.43 114.492 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -71.31 162.29 29.68 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.284 0.564 . . . . 62.11 111.687 -172.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.601 ' HB3' ' HE ' ' A' ' 55' ' ' ARG . 7.5 pt-20 -73.63 98.93 2.96 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.193 0.997 . . . . 72.23 111.266 -176.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 57' ' ' ILE . 46.9 mt -92.59 115.4 31.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.835 -0.802 . . . . 73.44 108.835 -176.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 45.2 t -108.03 102.83 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 107.979 -1.119 . . . . 65.51 107.979 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.4 t -93.78 124.78 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.719 -0.845 . . . . 75.31 108.719 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 43.1 tt0 -124.04 107.55 11.41 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.874 0.87 . . . . 74.22 109.086 -173.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 46.8 t -89.55 124.1 42.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.003 0.921 . . . . 63.24 109.276 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 37.9 m-70 -114.73 99.4 7.48 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.257 1.023 . . . . 72.44 108.792 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.496 HG22 ' ND2' ' A' ' 46' ' ' ASN . 25.8 mt -128.34 123.01 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 N-CA-C 109.424 -0.584 . . . . 72.52 109.424 176.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.496 ' ND2' HG22 ' A' ' 45' ' ' ILE . 55.5 m-80 63.61 18.44 11.1 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.007 1.323 . . . . 62.4 112.449 -176.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.19 -5.71 71.75 Favored Glycine 0 C--N 1.351 1.361 0 CA-C-O 120.117 -0.268 . . . . 65.34 113.075 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -85.99 124.34 32.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.259 0.624 . . . . 72.41 110.055 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -91.74 153.54 19.56 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.623 0.769 . . . . 75.34 110.039 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.599 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 37.9 t70 -144.57 111.82 5.99 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.755 0.422 . . . . 72.0 110.234 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.74 123.27 42.86 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.568 0.747 . . . . 43.13 110.38 -174.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 mt -128.33 108.22 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.225 -1.028 . . . . 74.31 108.225 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG2' HG22 ' A' ' 40' ' ' VAL . 23.5 mtm180 -98.63 123.6 42.92 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.795 0.438 . . . . 71.22 110.843 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.411 HG21 HD21 ' A' ' 65' ' ' LEU . 14.7 m -135.34 135.99 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.65 1.18 . . . . 64.31 109.403 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.601 ' HE ' ' HB3' ' A' ' 38' ' ' GLU . 29.3 mtp-105 -131.35 129.46 41.41 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.484 -0.562 . . . . 74.12 109.484 -177.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.43 19.46 11.81 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.508 1.123 . . . . 72.04 112.706 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.468 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.0 pp -62.46 149.5 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 113.019 0.748 . . . . 74.24 113.019 -175.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.562 ' HB2' ' HG2' ' A' ' 61' ' ' GLU . 14.3 m -74.52 170.83 14.93 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 115.908 -0.587 . . . . 61.51 111.212 -178.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -21.73 61.18 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.08 0.467 . . . . 74.3 111.624 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -87.56 -27.38 22.6 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.254 0.622 . . . . 74.54 110.848 171.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HG2' ' HB2' ' A' ' 58' ' ' SER . 17.0 mm-40 -77.47 -24.35 50.21 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.653 0.381 . . . . 63.23 111.882 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.659 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.4 pp -69.46 -23.73 63.7 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 110.287 -0.264 . . . . 71.42 110.287 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -64.72 -20.72 66.49 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.447 0.699 . . . . 73.23 111.642 173.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -76.67 -20.13 56.99 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.443 0.697 . . . . 71.2 110.194 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 62' ' ' LEU . 3.6 mm? -77.44 -41.65 38.95 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.907 -0.775 . . . . 75.54 108.907 170.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 26' ' ' ARG . 10.8 mp -54.94 -41.88 71.61 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.642 0.777 . . . . 63.43 109.91 170.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 27.9 tt0 -64.65 -50.67 66.17 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 114.319 -1.31 . . . . 73.21 109.794 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -56.43 -26.38 53.45 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.533 0.733 . . . . 71.03 112.901 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.8 mt -84.36 -44.8 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.41 0.684 . . . . 70.51 110.796 175.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.516 ' HB3' HD11 ' A' ' 22' ' ' LEU . 11.1 ptt180 -62.05 -38.55 89.19 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 122.619 0.368 . . . . 63.31 110.356 -174.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 20.5 mm-40 -56.58 -36.71 69.67 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.958 0.786 . . . . 42.24 109.373 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -75.35 -51.07 14.04 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.43 -0.805 . . . . 73.13 109.68 -175.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.1 -21.69 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 117.692 0.224 . . . . 64.31 111.5 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -76.93 -46.33 24.63 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.619 0.768 . . . . 71.41 110.971 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 mtp-105 -67.24 -45.86 75.49 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.369 0.668 . . . . 70.31 111.186 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -78.4 -56.59 4.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.088 0.955 . . . . 72.34 109.087 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.1 29.78 76.24 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.184 -0.916 . . . . 72.21 112.981 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.9 t -102.85 162.8 12.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.087 0.955 . . . . 72.33 110.225 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 m -90.32 -13.61 34.83 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.343 0.657 . . . . 61.2 111.147 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 10.7 tp10 -79.61 73.09 6.31 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.29 -0.633 . . . . 63.12 109.29 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.1 t -125.79 129.72 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.703 0.801 . . . . 55.14 109.531 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 30.4 tt0 -142.49 113.56 7.62 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.2 1.0 . . . . 62.41 109.312 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.0 t -99.46 116.52 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 122.979 0.512 . . . . 52.21 110.276 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER -102.36 107.74 18.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.851 0.86 . . . . 62.23 108.824 177.299 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.0 t -94.56 115.81 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.959 -0.756 . . . . 73.23 108.959 172.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.589 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 55.0 m-70 -104.08 153.53 20.79 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.808 -1.182 . . . . 64.02 107.808 173.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 61.5 p -158.22 105.23 1.9 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.928 -0.397 . . . . 75.32 109.928 174.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.87 -80.81 0.67 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 111.703 -0.559 . . . . 64.43 111.703 -175.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -140.89 6.71 2.63 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 123.588 0.613 . . . . 63.42 112.16 173.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 36.2 mt-30 -89.42 147.13 24.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.427 1.091 . . . . 54.42 109.773 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.7 m -142.27 126.0 16.99 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.62 0.645 . . . . 74.14 111.412 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -116.91 136.92 52.57 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.922 1.289 . . . . 73.31 107.911 169.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.6 p -127.49 108.75 11.08 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.669 0.387 . . . . 74.43 110.38 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -92.1 137.31 32.47 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.383 -0.969 . . . . 74.55 108.383 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 N--CA 1.478 0.968 0 C-N-CA 122.836 0.454 . . . . 72.11 109.778 177.712 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.419 ' O ' HD23 ' A' ' 25' ' ' LEU . 2.7 pt? . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.382 0.134 . . . . 74.41 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.524 ' HB3' HD13 ' A' ' 66' ' ' LEU . 68.4 mt -78.29 -36.64 46.35 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.17 0.588 . . . . 74.25 111.495 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.64 -39.18 93.7 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.332 0.653 . . . . 64.32 111.138 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -22.41 62.38 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.763 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 21' ' ' LEU . 3.7 mm? -77.71 -34.72 52.61 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.433 -0.58 . . . . 55.1 109.433 172.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -61.26 -40.3 93.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.096 0.958 . . . . 62.44 110.165 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -59.95 -41.68 92.38 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.12 0.887 . . . . 74.41 111.034 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.58 -36.08 75.94 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.711 0.804 . . . . 72.43 110.61 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.575 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 23.1 m-85 -72.0 -36.29 69.7 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.767 0.427 . . . . 75.43 110.79 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -65.38 -40.82 93.99 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.673 0.789 . . . . 72.23 109.858 174.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -54.37 -52.18 62.44 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 114.752 -1.113 . . . . 74.14 110.185 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 30.0 mt -77.76 -23.83 49.14 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.317 -0.856 . . . . 74.3 111.449 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -56.16 -38.67 71.2 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.406 1.082 . . . . 73.34 112.406 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -23.79 66.14 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.798 0.666 . . . . 62.32 112.798 -174.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 4.8 ptm85 -101.71 -22.47 14.41 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 110.238 -0.282 . . . . 63.54 110.238 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.18 31.01 69.16 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.613 0.57 . . . . 72.14 113.452 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -70.63 150.26 46.2 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 109.222 -0.659 . . . . 70.11 109.222 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 10.7 pt-20 -70.66 120.18 15.9 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.475 0.655 . . . . 71.23 111.414 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.7 mt -98.54 111.26 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 114.725 -1.125 . . . . 71.25 108.626 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.51 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 79.1 t -100.76 103.27 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 108.53 -0.915 . . . . 71.45 108.53 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.1 t -94.61 110.74 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 108.627 -0.879 . . . . 74.42 108.627 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 69.7 tt0 -115.32 105.03 12.39 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.975 -0.75 . . . . 75.13 108.975 -173.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -93.63 106.34 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.305 0.642 . . . . 72.45 109.9 -175.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -86.18 121.49 28.85 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.997 0.919 . . . . 63.32 108.836 176.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.435 HG23 ' HG3' ' A' ' 76' ' ' GLU . 10.5 mt -138.51 106.21 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.255 1.022 . . . . 63.33 109.248 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.412 HD22 HG23 ' A' ' 45' ' ' ILE . 28.6 m-80 52.19 31.62 9.4 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.823 1.249 . . . . 54.31 112.891 171.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.56 -19.28 19.4 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.838 -0.619 . . . . 54.41 113.448 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -93.74 109.86 21.51 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.449 0.7 . . . . 70.44 110.148 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -89.92 122.66 33.16 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 108.514 -0.921 . . . . 73.32 108.514 173.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 9.2 t70 -108.62 109.11 20.24 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.585 -0.895 . . . . 70.14 108.585 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -100.39 111.84 24.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.055 0.542 . . . . 60.33 109.842 -170.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.3 mt -114.11 106.8 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.382 1.073 . . . . 74.2 108.296 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -107.61 118.78 37.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.218 0.607 . . . . 55.33 109.7 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG21 HD21 ' A' ' 65' ' ' LEU . 23.1 m -121.82 145.41 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 107.763 -1.199 . . . . 72.33 107.763 170.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 5.9 mtp-105 -104.26 -65.6 1.01 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.405 0.622 . . . . 75.53 109.581 177.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -122.59 110.07 15.09 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.557 -1.275 . . . . 64.15 107.557 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.518 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pp -128.63 152.28 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 124.434 1.094 . . . . 72.21 109.593 -176.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.403 ' H ' ' HB2' ' A' ' 61' ' ' GLU . 28.5 m -77.53 -176.14 4.12 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.191 0.597 . . . . 70.21 110.767 177.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.28 -42.4 88.48 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.088 0.555 . . . . 64.12 109.915 173.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.18 -27.35 66.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.094 0.957 . . . . 73.25 110.533 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' A' ' 58' ' ' SER . 29.0 mm-40 -89.72 -27.87 19.78 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 115.803 -0.635 . . . . 74.4 112.645 -177.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.591 ' HA ' HD23 ' A' ' 65' ' ' LEU . 3.8 pp -70.06 -32.12 70.06 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.541 -0.911 . . . . 54.15 108.541 174.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 24.6 mmmt -52.58 -38.88 60.83 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 114.362 -1.29 . . . . 75.24 111.194 169.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 34.0 mmtp -59.19 -33.44 70.95 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.453 0.471 . . . . 51.13 110.857 -177.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -61.58 -48.65 80.01 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.751 0.657 . . . . 75.5 110.616 -177.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD13 ' HB3' ' A' ' 22' ' ' LEU . 3.6 pp -80.57 -20.6 43.02 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.88 -0.6 . . . . 64.24 111.894 -178.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 5.5 mm-40 -75.27 -31.99 60.91 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.846 -0.427 . . . . 72.1 109.846 173.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 12.7 mtp180 -73.04 -36.46 66.93 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 116.309 -0.405 . . . . 61.41 110.633 173.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 66' ' ' LEU . 98.9 mt -58.36 -45.22 89.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 109.456 -0.572 . . . . 52.03 109.456 171.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -54.69 -43.97 72.96 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.698 -1.137 . . . . 64.13 110.573 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HB3' HH21 ' A' ' 75' ' ' ARG . 48.2 mt-10 -54.68 -45.15 73.88 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.237 0.96 . . . . 65.24 110.046 177.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 66.5 mmtt -69.82 -51.27 35.05 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.619 1.2 . . . . 64.04 110.752 -170.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.689 HG22 HG21 ' A' ' 81' ' ' VAL . 2.3 pp -67.01 -30.3 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 115.519 -0.764 . . . . 73.43 111.219 -173.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -79.69 -44.19 21.3 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.977 0.511 . . . . 70.33 111.835 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.499 HH21 ' HB3' ' A' ' 71' ' ' GLU . 19.4 ptp180 -70.12 -26.57 64.02 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.422 0.289 . . . . 73.23 110.964 -176.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HG3' HG23 ' A' ' 45' ' ' ILE . 1.4 tt0 -84.68 -76.58 0.3 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.735 -0.839 . . . . 73.41 108.735 171.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.92 33.34 68.34 Favored Glycine 0 C--N 1.366 2.196 0 O-C-N 123.579 0.549 . . . . 73.12 112.977 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 t -100.63 -68.1 0.83 Allowed 'General case' 0 C--O 1.24 0.56 0 C-N-CA 122.914 0.486 . . . . 62.22 109.99 -173.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.9 t 176.65 -55.93 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.297 0.998 . . . . 73.32 109.955 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -81.16 88.4 6.02 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.027 0.931 . . . . 70.03 111.118 -169.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.689 HG21 HG22 ' A' ' 73' ' ' ILE . 5.2 p -141.63 131.56 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.98 0.912 . . . . 75.23 110.652 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -143.44 126.42 16.33 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.135 0.974 . . . . 72.33 109.516 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.467 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 88.2 t -100.3 114.87 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.346 1.058 . . . . 72.53 109.45 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.477 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -103.55 105.84 16.2 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.308 -0.997 . . . . 74.02 108.308 -178.062 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.6 t -95.27 107.46 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 108.583 -0.895 . . . . 61.42 108.583 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.51 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 35.6 m-70 -100.45 124.33 45.83 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 107.522 -1.288 . . . . 62.22 107.522 -177.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.9 t -157.43 111.69 2.65 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.866 -0.42 . . . . 72.31 109.866 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.88 15.83 67.45 Favored Glycine 0 C--N 1.356 1.687 0 O-C-N 124.1 0.875 . . . . 64.43 113.635 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.32 -14.33 43.49 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-O 119.592 -0.56 . . . . 74.13 113.559 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -91.8 126.32 36.85 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 117.5 0.65 . . . . 74.42 110.07 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 84.8 m -113.72 111.39 21.72 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.392 0.677 . . . . 65.13 110.148 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -94.39 115.51 27.72 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.516 -0.92 . . . . 74.0 108.516 173.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.9 p -99.13 126.65 44.93 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.642 0.777 . . . . 71.05 109.779 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.467 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 89.7 m-85 -122.03 107.44 12.22 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.134 0.974 . . . . 72.01 110.684 -173.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 108.376 -0.972 . . . . 74.33 108.376 171.581 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 120.382 0.134 . . . . 73.32 110.652 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.454 ' HB3' HD13 ' A' ' 66' ' ' LEU . 85.9 mt -65.6 -38.14 88.63 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 123.266 0.626 . . . . 71.43 111.231 175.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 33.1 tt0 -61.98 -33.49 74.41 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.616 0.573 . . . . 71.15 110.354 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -62.31 -42.34 99.29 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.162 0.585 . . . . 63.32 110.156 172.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.97 -30.6 67.99 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.519 -0.764 . . . . 75.14 109.522 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -64.71 -47.92 76.56 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.178 0.991 . . . . 74.44 110.237 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.8 mm-40 -64.96 -36.82 85.62 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.226 0.954 . . . . 75.04 110.307 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 40.6 tp -65.06 -52.59 54.89 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.452 -0.794 . . . . 55.42 110.51 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 21.0 m-85 -62.48 -34.22 76.42 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.543 0.737 . . . . 70.21 111.135 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.87 -38.65 91.69 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.794 0.838 . . . . 73.32 111.29 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 29.2 tt0 -72.52 -24.25 61.12 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.554 0.742 . . . . 45.43 110.499 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 82.2 mt -85.96 -32.11 21.73 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 121.515 0.674 . . . . 64.52 110.2 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -59.07 -38.25 78.98 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.638 1.575 . . . . 64.4 111.691 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 12.6 pt-20 -56.37 -27.55 56.45 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 123.931 0.769 . . . . 53.31 112.263 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -116.35 -8.74 11.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.403 0.681 . . . . 74.14 111.396 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.67 36.9 93.36 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 123.278 0.466 . . . . 74.3 113.819 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 t -68.93 164.37 22.36 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.695 0.798 . . . . 72.41 111.72 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.614 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 8.6 pt-20 -74.96 100.21 4.07 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.778 -0.646 . . . . 71.33 110.647 177.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.9 mt -94.54 110.8 24.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 108.761 -0.829 . . . . 63.34 108.761 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 47.2 t -100.59 104.47 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 107.86 -1.163 . . . . 71.45 107.86 176.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.9 t -91.73 128.11 43.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 108.708 -0.849 . . . . 41.41 108.708 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 88.6 tt0 -138.78 114.4 9.83 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.343 1.057 . . . . 75.44 108.264 -170.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 41.6 t -107.98 141.02 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.004 -0.739 . . . . 62.52 109.004 177.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 88.3 m-70 -129.6 112.29 13.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.467 -1.309 . . . . 73.22 107.467 173.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.546 HG12 ' HA ' ' A' ' 81' ' ' VAL . 56.9 mt -137.52 117.52 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 117.955 0.343 . . . . 64.33 110.089 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 71.0 2.44 4.23 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.307 1.443 . . . . 65.02 113.419 172.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.03 -20.09 9.28 Favored Glycine 0 C--N 1.343 0.951 0 N-CA-C 111.794 -0.522 . . . . 53.41 111.794 -172.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -78.92 137.76 37.78 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.535 0.734 . . . . 74.33 109.196 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -121.24 153.18 37.97 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.402 0.62 . . . . 74.41 110.482 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 25.1 t0 -132.12 137.56 47.74 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.482 1.513 . . . . 64.13 106.98 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -143.19 119.12 10.61 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.736 -0.468 . . . . 74.23 109.736 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.5 mt -136.7 123.45 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 107.219 -1.4 . . . . 73.13 107.219 -176.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG3' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -115.9 119.47 36.05 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.435 -0.95 . . . . 63.01 108.435 179.694 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -122.82 139.5 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.673 0.789 . . . . 73.21 110.025 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.614 ' HG2' ' HB3' ' A' ' 38' ' ' GLU . 64.1 mtt180 -127.51 134.33 49.79 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.23 1.012 . . . . 72.51 108.725 174.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER 54.53 67.47 1.01 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.446 1.098 . . . . 74.22 111.233 177.391 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.617 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -107.57 157.79 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 115.54 -0.755 . . . . 74.53 110.55 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.3 m -104.87 -175.57 2.83 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.498 0.719 . . . . 75.22 110.556 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -66.39 -33.35 75.51 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 114.08 1.141 . . . . 64.1 114.08 -166.649 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -87.05 -29.54 21.84 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 122.248 -0.283 . . . . 72.12 110.697 178.094 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.66 -42.85 85.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.787 -0.642 . . . . 44.21 111.11 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.645 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.6 pp -66.25 -29.16 69.34 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.759 0.424 . . . . 74.33 110.922 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HD2' HD21 ' A' ' 66' ' ' LEU . 10.1 mmmm -59.72 -33.41 71.59 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.193 -0.912 . . . . 64.43 110.962 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -66.21 -25.62 67.01 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.25 0.344 . . . . 73.11 110.638 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.1 mm? -68.3 -51.37 45.58 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.687 0.617 . . . . 62.11 110.483 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.49 HD21 ' HD2' ' A' ' 63' ' ' LYS . 3.8 pp -69.7 -26.01 64.15 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.625 0.25 . . . . 73.14 110.715 177.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 43.7 mt-10 -75.31 -22.67 57.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.37 0.668 . . . . 71.22 111.603 176.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -74.48 -41.25 61.07 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.0 0.52 . . . . 73.53 109.744 170.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.24 -42.48 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.069 0.948 . . . . 74.55 110.687 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 5.7 ppt_? -60.62 -35.88 77.23 Favored 'General case' 0 C--N 1.361 1.096 0 CA-C-N 115.717 -0.674 . . . . 61.44 111.09 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.35 -43.19 99.41 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.329 1.018 . . . . 72.34 109.542 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -64.91 -50.2 67.45 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 123.336 0.397 . . . . 73.33 110.255 -176.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.0 pt -68.55 -31.81 52.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 115.66 -0.7 . . . . 71.02 111.74 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -87.93 -28.21 21.65 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.106 0.78 . . . . 74.03 113.106 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.6 mtp-105 -77.33 -43.21 33.83 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 110.23 -0.285 . . . . 74.41 110.23 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -73.48 -54.32 8.53 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 109.403 -0.591 . . . . 62.51 109.403 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.52 25.73 61.18 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 124.212 0.945 . . . . 73.53 114.301 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.7 t -101.45 175.72 5.48 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.616 0.766 . . . . 35.32 110.301 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.8 m -73.7 -26.95 60.96 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.611 0.764 . . . . 72.12 112.082 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 4.8 mp0 -79.93 58.49 2.91 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.156 0.983 . . . . 72.31 112.632 -172.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.546 ' HA ' HG12 ' A' ' 45' ' ' ILE . 95.1 t -99.77 129.53 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.843 -0.536 . . . . 71.04 111.2 -175.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 35.4 tt0 -140.32 126.6 19.91 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.475 -0.935 . . . . 71.44 108.475 174.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 59.2 t -115.39 143.42 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 107.801 -1.185 . . . . 52.33 107.801 173.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.506 HD21 HG22 ' A' ' 93' ' ' THR . 5.8 t-20 -143.82 113.87 7.3 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.777 -0.453 . . . . 72.13 109.777 -173.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.6 t -111.81 110.86 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.437 -0.579 . . . . 62.12 109.437 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.535 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 30.3 m-70 -94.49 150.24 20.45 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.676 -1.231 . . . . 74.41 107.676 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 37.7 p -160.46 104.12 1.42 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 122.598 0.359 . . . . 73.1 110.056 173.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 65.7 -85.9 0.09 OUTLIER Glycine 0 C--N 1.345 1.083 0 O-C-N 123.564 0.54 . . . . 72.21 112.294 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.29 4.44 5.23 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-O 119.602 -0.555 . . . . 74.14 113.637 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -114.78 123.95 50.53 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 117.865 0.833 . . . . 64.54 110.277 177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.3 m -122.39 134.45 54.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.911 0.885 . . . . 74.43 109.312 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.5 m-90 -111.43 116.55 31.11 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.137 0.975 . . . . 75.01 108.947 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.506 HG22 HD21 ' A' ' 84' ' ' ASN . 40.2 p -93.32 103.18 15.44 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.778 0.831 . . . . 73.3 109.263 176.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.414 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 77.5 m-85 -91.35 108.61 20.01 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.27 -1.011 . . . . 74.22 108.27 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.1 m120 . . . . . 0 C--O 1.241 0.629 0 C-N-CA 123.443 0.697 . . . . 65.41 109.754 179.857 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 108.245 -1.02 . . . . 71.54 108.245 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.55 -179.55 53.39 Favored Glycine 0 C--N 1.352 1.423 0 CA-C-N 115.64 -0.709 . . . . 72.13 113.222 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -169.65 116.05 0.57 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.237 1.015 . . . . 72.11 108.758 176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -67.83 122.32 17.88 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.077 -0.712 . . . . 74.31 109.077 174.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -71.44 169.2 15.87 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.367 1.067 . . . . 54.32 110.562 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -57.04 125.73 23.97 Favored 'General case' 0 N--CA 1.484 1.254 0 O-C-N 123.553 0.533 . . . . 73.13 111.363 -171.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -78.67 149.92 32.72 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.179 -0.464 . . . . 63.0 110.195 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -120.27 114.93 22.61 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.906 0.882 . . . . 74.33 108.736 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.1 155.99 18.87 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.491 -0.929 . . . . 71.34 108.491 172.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -109.66 115.91 30.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.362 0.665 . . . . 75.04 110.322 -175.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.0 mt -77.65 97.03 4.97 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 107.451 -1.314 . . . . 73.14 107.451 166.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -58.35 -32.27 68.38 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.319 1.048 . . . . 63.12 112.74 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -127.08 168.87 14.03 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.766 0.793 . . . . 74.53 111.606 -173.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -125.41 172.38 9.69 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.403 1.481 . . . . 73.31 107.206 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.3 m -79.76 52.22 1.42 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.276 1.031 . . . . 75.54 112.897 -172.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.55 ' HA ' ' HB3' ' A' ' 19' ' ' ASP . 36.0 t-80 -72.88 84.02 1.22 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.518 0.727 . . . . 71.23 111.57 -172.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.7 tpt -169.33 -53.02 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 106.689 -1.597 . . . . 73.22 106.689 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.49 HG21 HD11 ' A' ' 73' ' ' ILE . 94.5 m -84.25 -35.71 23.21 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-N 114.679 -1.146 . . . . 45.22 109.313 167.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.55 ' HB3' ' HA ' ' A' ' 16' ' ' HIS . 23.3 t70 -58.79 93.04 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-N 114.854 -1.066 . . . . 72.44 111.086 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -145.85 -64.63 0.31 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 106.41 -1.7 . . . . 72.14 106.41 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.5 pt? -73.51 -23.78 60.07 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.615 -1.175 . . . . 73.32 110.202 168.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 85.8 mt -69.02 -42.76 75.96 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.313 0.645 . . . . 71.41 111.274 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.65 -37.73 85.12 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 110.105 -0.332 . . . . 71.41 110.105 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mmm-85 -60.04 -30.2 69.03 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.669 0.787 . . . . 74.43 111.247 174.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 83.6 mt -77.41 -35.05 54.54 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 109.615 -0.513 . . . . 64.24 109.615 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HB2' HD22 ' A' ' 66' ' ' LEU . 25.3 ttt180 -70.23 -24.05 63.02 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 122.487 0.315 . . . . 75.24 110.984 178.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -62.31 -42.35 99.3 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.337 -0.616 . . . . 73.53 109.337 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -72.3 -38.75 68.66 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 123.962 0.788 . . . . 74.42 110.799 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -64.66 -47.04 79.9 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 122.849 0.46 . . . . 72.33 111.025 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -68.97 -30.57 69.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.572 1.149 . . . . 74.12 111.588 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.72 -53.22 35.66 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.174 0.59 . . . . 72.2 109.884 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.38 -19.99 64.66 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.184 0.994 . . . . 74.31 111.614 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -62.0 -17.76 58.22 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 124.258 1.023 . . . . 73.4 111.285 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.06 -39.67 72.4 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 123.563 0.745 . . . . 71.13 110.945 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.35 -30.73 12.41 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 109.377 -0.601 . . . . 71.45 109.377 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.66 38.02 93.17 Favored Glycine 0 C--N 1.358 1.784 0 O-C-N 123.95 0.781 . . . . 62.15 112.976 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 t -77.49 -169.92 1.61 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.337 0.655 . . . . 54.35 110.888 -174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.24 88.6 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.857 0.863 . . . . 75.15 110.688 171.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 71.9 mt -94.43 108.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 107.443 -1.317 . . . . 73.14 107.443 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 60.4 t -104.53 107.35 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 109.13 -0.692 . . . . 73.44 109.13 -176.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.527 HG21 HD13 ' A' ' 65' ' ' LEU . 48.9 t -92.48 110.19 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 108.709 -0.849 . . . . 54.34 108.709 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 84' ' ' ASN . 9.8 tp10 -116.57 126.43 53.28 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.643 1.177 . . . . 74.33 108.87 -172.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 78.1 t -124.19 101.53 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.605 0.762 . . . . 71.03 109.007 -174.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 84.4 m-70 -96.41 110.98 23.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.027 0.931 . . . . 72.44 109.151 175.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mt -125.87 114.64 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 122.6 0.36 . . . . 60.13 110.061 172.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 71.68 -72.05 0.12 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 126.029 1.732 . . . . 70.34 111.5 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.16 11.06 0.26 Allowed Glycine 0 N--CA 1.471 1.015 0 CA-C-N 115.281 -0.872 . . . . 75.04 112.46 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -110.57 139.04 46.19 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 107.744 -1.206 . . . . 62.14 107.744 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 12.1 ptt180 -127.1 151.28 48.84 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 109.724 -0.472 . . . . 70.41 109.724 174.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.83 114.05 11.48 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.675 -0.861 . . . . 61.02 108.675 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -109.77 119.82 40.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.226 1.01 . . . . 74.45 109.254 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.4 mt -119.09 107.56 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 108.587 -0.894 . . . . 72.54 108.587 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.69 106.16 18.15 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 108.451 -0.944 . . . . 75.33 108.451 176.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.446 HG21 HD11 ' A' ' 65' ' ' LEU . 16.9 m -113.51 117.8 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.29 0.636 . . . . 74.12 109.489 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -121.73 110.7 16.26 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.412 -0.959 . . . . 70.34 108.412 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.425 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER 63.4 73.76 0.44 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.726 1.21 . . . . 51.42 110.421 -178.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -115.84 172.25 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.17 -0.923 . . . . 64.13 111.212 -177.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.516 ' HB2' ' HG2' ' A' ' 61' ' ' GLU . 23.0 m -96.72 170.25 9.32 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.755 0.822 . . . . 74.1 110.659 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -27.75 66.76 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.684 0.794 . . . . 72.02 111.4 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -79.03 -19.85 50.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.337 1.055 . . . . 64.5 110.994 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' A' ' 58' ' ' SER . 27.0 mm-40 -81.37 -47.55 13.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.649 0.38 . . . . 73.43 109.98 176.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.77 -19.75 61.3 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.268 0.84 . . . . 72.5 113.268 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -63.78 -29.14 70.38 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.95 0.405 . . . . 73.41 110.016 172.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 14.8 mmmm -66.84 -26.5 66.95 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 123.23 0.612 . . . . 63.21 111.182 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD13 HG21 ' A' ' 41' ' ' VAL . 84.0 mt -61.75 -54.82 37.25 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.9 0.48 . . . . 61.35 110.556 -176.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 26' ' ' ARG . 1.9 pp -69.75 -30.55 68.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.57 0.748 . . . . 63.24 111.149 177.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -71.78 -14.13 61.9 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.099 0.96 . . . . 70.33 110.974 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 40.1 mtp180 -87.79 -35.16 18.01 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 121.871 -0.518 . . . . 74.43 110.773 165.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 65' ' ' LEU . 81.8 mt -63.51 -36.63 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.314 0.646 . . . . 71.32 110.861 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 34.3 ptt180 -54.81 -41.39 70.57 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 123.659 0.599 . . . . 72.15 109.801 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 45.6 mt-10 -66.7 -30.81 71.14 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.078 0.951 . . . . 71.15 109.812 -175.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -75.12 -43.4 52.89 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 115.552 -0.749 . . . . 53.3 109.168 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.49 HD11 HG21 ' A' ' 18' ' ' THR . 2.5 pp -77.75 -19.07 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 CA-C-N 116.281 -0.418 . . . . 75.52 111.463 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 63.3 mm-40 -72.65 -51.95 17.36 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.743 0.417 . . . . 71.42 110.136 173.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.462 ' HG3' ' HG2' ' A' ' 76' ' ' GLU . 14.5 ptm180 -69.56 -35.91 75.84 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.97 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.462 ' HG2' ' HG3' ' A' ' 75' ' ' ARG . 48.1 mm-40 -94.77 -59.24 1.96 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.75 0.42 . . . . 74.35 110.593 -177.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.04 25.37 67.97 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-N 116.095 -0.502 . . . . 71.52 113.701 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.4 m -98.76 152.29 19.85 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.545 0.738 . . . . 54.43 111.176 -172.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.5 t -67.94 -26.59 66.03 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.098 0.959 . . . . 74.51 110.947 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.44 77.08 2.49 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.01 -0.737 . . . . 75.3 109.01 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 p -135.41 134.24 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.598 0.759 . . . . 62.12 109.663 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 28.0 tt0 -138.47 112.37 8.44 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.537 1.135 . . . . 75.3 108.02 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.3 t -99.59 130.36 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 107.114 -1.439 . . . . 71.52 107.114 170.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.47 ' HB3' ' HB3' ' A' ' 42' ' ' GLU . 49.4 t-20 -138.45 105.5 5.44 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.309 -0.997 . . . . 61.03 108.309 -161.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.64 123.42 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 N-CA-C 108.91 -0.774 . . . . 71.42 108.91 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 65.7 m-70 -109.98 146.99 34.32 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 107.964 -1.125 . . . . 71.14 107.964 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.3 p -157.61 103.6 1.93 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 109.126 -0.694 . . . . 73.35 109.126 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 59.28 33.39 75.33 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.266 -0.424 . . . . 72.31 113.151 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.35 -17.98 56.06 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-O 119.944 -0.365 . . . . 52.54 113.21 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 19.7 mt-30 -80.91 122.53 27.35 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.004 0.521 . . . . 73.42 110.405 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.2 m -116.69 139.26 50.75 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.673 0.789 . . . . 70.33 110.998 -171.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.4 m-90 -135.6 124.14 23.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.788 1.235 . . . . 71.11 108.667 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 p -109.54 111.76 23.46 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.041 0.537 . . . . 73.31 111.077 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -96.03 109.13 21.59 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.941 1.296 . . . . 60.12 109.081 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -116.69 139.79 50.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.002 0.921 . . . . 62.2 109.268 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -74.17 105.31 5.31 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 109.609 -0.515 . . . . 73.05 109.609 174.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.3 pttm . . . . . 0 CA--C 1.558 1.28 0 CA-C-N 114.479 -1.237 . . . . 74.41 111.753 -178.187 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.655 0.264 . . . . 74.22 110.398 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.53 168.9 12.87 Favored Glycine 0 C--N 1.341 0.841 0 CA-C-N 116.09 -0.505 . . . . 74.01 112.246 176.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -159.13 141.7 14.07 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.107 0.563 . . . . 64.34 110.513 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -135.13 173.36 11.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.298 1.039 . . . . 75.11 109.296 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -165.68 112.63 0.93 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 107.528 -1.286 . . . . 74.4 107.528 175.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -119.87 137.12 54.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.542 0.737 . . . . 73.13 109.035 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -65.25 146.14 55.33 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.443 0.465 . . . . 75.41 110.598 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -152.0 58.84 0.85 Allowed 'General case' 0 C--O 1.241 0.614 0 N-CA-C 107.646 -1.242 . . . . 74.43 107.646 -176.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.13 148.51 17.83 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 113.52 -1.673 . . . . 74.12 113.372 -171.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -115.12 89.7 3.16 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 107.781 -1.192 . . . . 61.41 107.781 170.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 pp -72.88 164.36 26.75 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.814 -1.085 . . . . 64.23 110.815 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -103.55 110.56 22.66 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.353 -0.98 . . . . 74.42 108.353 171.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -70.05 -48.86 56.13 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.591 -0.732 . . . . 72.12 109.076 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -120.25 108.73 14.55 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.235 1.014 . . . . 72.31 108.842 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.521 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 36.4 m -70.93 124.38 24.21 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.637 0.775 . . . . 62.51 110.649 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -145.45 -27.26 0.46 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.569 0.747 . . . . 75.45 110.006 -175.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.5 mtt -91.95 55.41 2.64 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.227 1.011 . . . . 74.15 109.831 -175.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.432 HG21 HD11 ' A' ' 73' ' ' ILE . 13.1 t 44.61 27.67 0.26 Allowed 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 126.192 1.797 . . . . 63.33 113.702 -172.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.521 ' HB2' ' HB3' ' A' ' 15' ' ' SER . 20.4 m-20 -64.18 -13.78 50.86 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.249 1.019 . . . . 63.33 111.616 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HG3' HH21 ' A' ' 24' ' ' ARG . 12.7 tp10 -58.6 -49.89 75.84 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.828 0.851 . . . . 74.13 111.011 176.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.02 -52.07 27.14 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.246 0.618 . . . . 72.05 110.524 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 66' ' ' LEU . 57.3 mt -63.47 -45.19 91.93 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.687 -1.142 . . . . 62.25 112.687 -164.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -72.37 -17.55 61.81 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.857 -0.61 . . . . 73.3 111.18 -172.29 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.443 HH21 ' HG3' ' A' ' 20' ' ' GLU . 80.6 mtt-85 -61.98 -40.61 96.22 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.602 0.715 . . . . 61.31 109.53 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.59 -30.03 65.36 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.588 -1.187 . . . . 44.53 109.476 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -59.32 -45.7 90.59 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.23 0.331 . . . . 70.03 110.2 172.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 59.0 mm-40 -60.19 -30.84 69.62 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.759 0.662 . . . . 70.13 110.799 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.2 tp -72.49 -43.53 63.5 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.874 -0.603 . . . . 70.23 110.494 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.536 ' HB2' HD13 ' A' ' 62' ' ' LEU . 16.6 m-30 -68.47 -22.46 64.56 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.918 0.487 . . . . 71.11 110.573 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -80.3 -36.79 33.84 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.274 1.029 . . . . 73.13 109.33 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -61.93 -32.91 73.36 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.294 0.637 . . . . 73.45 109.991 171.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HA ' ' HD3' ' A' ' 35' ' ' ARG . 77.9 mt -87.68 -22.9 24.39 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.022 0.929 . . . . 71.5 111.852 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -53.63 -38.06 63.7 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 124.387 1.075 . . . . 61.43 112.551 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.87 -36.35 76.72 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.449 -0.796 . . . . 75.25 112.766 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -94.03 -26.47 16.77 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.665 -0.495 . . . . 72.13 109.665 178.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.62 24.35 64.03 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.981 0.801 . . . . 71.35 114.052 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.0 t -76.63 -177.74 4.39 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.983 0.513 . . . . 74.23 110.999 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -57.78 100.74 0.06 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.189 0.996 . . . . 72.31 112.219 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.456 HD12 HD11 ' A' ' 57' ' ' ILE . 59.0 mt -95.91 113.47 30.38 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 N-CA-C 107.874 -1.158 . . . . 64.31 107.874 172.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.488 HG22 ' HG2' ' A' ' 53' ' ' ARG . 21.4 t -107.32 105.48 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.823 -0.806 . . . . 75.41 108.823 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 65' ' ' LEU . 72.4 t -92.58 110.93 23.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.172 -1.047 . . . . 63.44 108.172 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 41.2 tt0 -118.38 108.84 15.55 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.82 0.448 . . . . 71.54 110.455 -174.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.488 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 38.8 t -96.7 102.08 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.011 0.925 . . . . 75.01 109.626 -174.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 28.3 m-70 -90.45 106.19 18.33 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 109.003 -0.74 . . . . 60.31 109.003 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 43.8 mt -127.9 119.06 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 122.91 0.484 . . . . 53.2 110.387 175.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 58.96 31.17 21.1 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.799 1.24 . . . . 64.42 112.004 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.33 -20.97 44.85 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.462 -0.79 . . . . 34.15 113.416 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.35 118.39 24.86 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.147 0.579 . . . . 73.24 110.707 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -94.59 113.04 24.8 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 121.582 0.706 . . . . 61.45 109.684 174.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 8.9 t70 -85.36 136.4 33.48 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 107.362 -1.347 . . . . 63.54 107.362 172.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -129.43 114.12 15.76 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.166 0.439 . . . . 73.43 110.215 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.417 HD13 ' HD2' ' A' ' 68' ' ' ARG . 9.6 mt -122.36 131.63 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 107.927 -1.138 . . . . 74.53 107.927 178.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.488 ' HG2' HG22 ' A' ' 40' ' ' VAL . 54.9 mtt180 -125.95 130.19 50.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.651 0.78 . . . . 71.31 109.371 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 65' ' ' LEU . 9.7 p -140.84 141.52 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 122.815 0.446 . . . . 73.35 111.046 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.11 139.04 53.7 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.299 1.039 . . . . 73.44 108.817 175.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.15 83.65 0.09 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.939 1.296 . . . . 75.35 111.777 172.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.616 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.1 pp -146.11 151.69 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 115.402 -0.817 . . . . 70.33 110.681 -175.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 m -97.52 178.6 5.13 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.299 1.039 . . . . 62.22 109.868 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -53.1 -49.12 67.12 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.585 1.154 . . . . 63.0 113.889 -169.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -29.82 63.04 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 118.192 0.451 . . . . 72.14 111.509 -175.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.29 -49.83 52.36 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.427 -0.806 . . . . 74.14 110.796 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.616 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.3 pp -71.52 -21.11 61.96 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.396 0.278 . . . . 72.3 110.861 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 21.9 mtpp -64.66 -27.99 69.31 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 119.527 -0.273 . . . . 72.24 111.065 171.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.47 -27.36 68.51 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 117.816 0.28 . . . . 54.21 111.004 175.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.557 ' HB3' HG21 ' A' ' 41' ' ' VAL . 57.3 mt -64.67 -47.65 77.65 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.291 0.636 . . . . 61.53 110.439 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 3.8 pp -81.34 -22.62 38.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.333 -0.848 . . . . 73.41 111.705 -177.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HG2' ' NH2' ' A' ' 70' ' ' ARG . 53.4 mt-10 -77.19 -22.28 52.66 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.124 0.57 . . . . 71.15 110.281 173.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 51.2 mtt180 -70.67 -43.89 68.18 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 122.93 0.492 . . . . 74.41 109.804 167.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.73 -40.14 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 123.452 0.701 . . . . 75.43 110.032 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' NH2' ' HG2' ' A' ' 67' ' ' GLU . 37.8 ttm180 -51.34 -49.85 60.61 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.322 1.049 . . . . 54.44 111.577 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.33 -38.96 85.39 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 115.173 -0.921 . . . . 75.43 110.53 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 30.0 mmtp -69.62 -49.56 52.7 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 109.988 -0.375 . . . . 72.31 109.988 -173.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.432 HD11 HG21 ' A' ' 18' ' ' THR . 33.0 pt -75.47 -35.53 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 123.563 0.745 . . . . 73.52 112.29 -170.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -83.36 -44.62 14.65 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.752 0.421 . . . . 61.11 111.076 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -77.06 -18.79 57.82 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.601 0.36 . . . . 72.25 111.419 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.14 -44.64 21.57 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.441 -0.578 . . . . 75.23 109.441 165.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.54 -46.66 3.36 Favored Glycine 0 C--N 1.345 1.056 0 CA-C-N 115.647 -0.706 . . . . 74.01 111.895 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.3 t -56.19 126.2 25.1 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.281 1.033 . . . . 75.13 110.54 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.2 p -84.35 11.75 7.9 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.56 0.744 . . . . 62.3 111.284 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 6.9 tp10 -73.56 78.29 1.47 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.839 -0.8 . . . . 63.11 108.839 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.9 118.99 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 121.809 0.814 . . . . 61.24 111.023 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 34.0 tt0 -115.87 111.53 20.59 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.687 1.595 . . . . 74.31 106.979 174.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.2 t -98.95 114.28 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 N-CA-C 109.206 -0.664 . . . . 63.14 109.206 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.52 108.63 21.11 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.33 -0.989 . . . . 74.32 108.33 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -94.61 107.71 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 108.012 -1.107 . . . . 75.51 108.012 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 15.8 m-70 -102.03 116.19 32.16 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.751 -1.203 . . . . 75.22 107.751 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 t -143.36 112.06 6.46 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.184 -0.673 . . . . 52.11 109.184 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.01 23.83 74.46 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 124.013 0.821 . . . . 62.24 112.674 -172.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 91.76 -10.99 73.34 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 123.201 0.429 . . . . 73.23 113.6 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -85.32 121.98 28.84 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.147 0.579 . . . . 50.01 109.993 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 83.7 m -109.2 126.75 53.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.113 0.965 . . . . 73.34 110.05 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -117.74 116.43 27.01 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.628 -0.879 . . . . 73.41 108.628 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.6 p -99.59 106.02 17.94 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.914 0.885 . . . . 72.44 111.794 -172.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -91.99 115.57 28.18 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.141 0.976 . . . . 73.04 109.489 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.429 HD21 ' HG3' ' A' ' 82' ' ' GLU . 19.0 m-80 -127.03 114.12 17.37 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.491 0.716 . . . . 73.5 110.341 -175.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -96.18 102.78 14.62 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.248 -1.019 . . . . 63.4 108.248 165.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.351 0 N-CA-C 108.318 -0.993 . . . . 63.33 108.318 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 109.236 -0.653 . . . . 74.5 109.236 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.32 51.16 0.87 Allowed Glycine 0 C--N 1.35 1.338 0 O-C-N 123.199 0.312 . . . . 55.14 112.815 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -68.56 114.41 6.94 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.937 -0.764 . . . . 51.32 108.937 172.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -59.07 88.28 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.518 1.127 . . . . 62.55 112.047 -174.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -133.36 107.21 7.95 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 108.488 -0.93 . . . . 71.24 108.488 175.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -130.01 85.31 2.28 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.99 -0.744 . . . . 53.2 108.99 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -102.57 153.11 20.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.075 -0.966 . . . . 71.24 110.01 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -166.5 155.46 10.92 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.563 0.745 . . . . 53.52 109.311 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 153.7 34.16 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.197 0.599 . . . . 64.44 111.444 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -128.45 128.81 45.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.061 0.544 . . . . 71.41 110.408 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -87.98 96.45 10.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.555 -0.906 . . . . 63.34 108.555 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -81.89 97.19 7.92 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.681 -0.859 . . . . 55.5 108.681 174.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -67.84 136.59 54.34 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.817 -0.629 . . . . 53.53 109.961 -176.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.15 -60.15 3.91 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.568 1.147 . . . . 75.42 110.339 -174.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.6 p -83.07 109.34 17.05 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.3 0.571 . . . . 73.55 109.964 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -86.82 139.58 30.54 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.421 -0.809 . . . . 74.23 110.651 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.9 ptm -136.78 83.22 1.99 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.232 1.013 . . . . 70.35 109.786 -175.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.2 m 70.98 -5.05 1.59 Allowed 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 124.976 1.31 . . . . 42.54 112.873 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.62 ' HA ' ' HB2' ' A' ' 22' ' ' LEU . 6.1 p-10 -77.26 1.44 18.62 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.384 0.673 . . . . 74.1 112.409 -172.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.54 -52.03 24.54 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.408 0.683 . . . . 71.22 109.434 174.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.86 -39.6 87.62 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 115.012 -0.995 . . . . 65.2 110.327 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.62 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 75.2 mt -70.9 -28.98 64.93 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.624 -1.171 . . . . 74.24 111.384 -176.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 24.0 tp10 -62.54 -30.56 71.39 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.079 0.466 . . . . 74.11 110.668 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -63.69 -41.85 98.09 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.331 -0.85 . . . . 73.04 109.359 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.0 mt -73.73 -33.13 64.21 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.715 -1.13 . . . . 70.15 109.097 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.611 ' HB2' HD11 ' A' ' 66' ' ' LEU . 33.9 ttt180 -64.39 -48.71 74.4 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.052 0.941 . . . . 74.12 111.8 -177.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.21 -32.5 71.17 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 123.441 0.463 . . . . 74.42 111.569 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.9 tp -67.34 -48.81 66.41 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.832 -0.622 . . . . 74.35 109.593 170.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' A' ' 33' ' ' HIS . 21.2 m-30 -57.8 -30.99 66.15 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.079 0.552 . . . . 65.24 111.561 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 33' ' ' HIS . 78.6 mm-40 -73.26 -43.31 61.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.102 0.561 . . . . 73.34 109.907 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.53 -30.61 68.72 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.089 0.956 . . . . 74.42 111.152 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 51.1 mt -84.97 -45.76 11.87 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.359 -0.837 . . . . 73.45 110.508 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -66.27 -27.48 67.97 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.209 0.603 . . . . 73.04 111.329 -173.553 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.3 -26.43 62.85 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.772 -0.649 . . . . 74.22 111.247 -176.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.7 ptm180 -100.82 -15.13 17.72 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.755 0.422 . . . . 74.23 110.571 177.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.26 29.54 40.49 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.608 0.567 . . . . 73.43 113.597 172.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -84.85 156.24 21.39 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 109.358 -0.608 . . . . 54.42 109.358 171.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.82 143.93 45.74 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.788 0.435 . . . . 74.33 110.665 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.53 HD12 HD11 ' A' ' 57' ' ' ILE . 47.5 mt -117.0 109.01 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 109.086 -0.709 . . . . 74.41 109.086 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 62.5 t -97.69 106.07 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 108.361 -0.978 . . . . 73.12 108.361 173.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.411 HG11 HD11 ' A' ' 69' ' ' ILE . 48.4 t -94.06 137.85 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.3 -1.0 . . . . 74.13 108.3 177.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 78.6 tt0 -139.08 108.13 6.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 117.84 0.291 . . . . 73.01 111.035 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.535 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 58.8 t -90.73 103.82 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 124.374 1.07 . . . . 64.44 110.188 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -89.11 111.86 22.72 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.783 0.833 . . . . 62.11 109.843 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.533 HG21 ' HG3' ' A' ' 76' ' ' GLU . 45.0 mt -120.02 107.82 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 109.172 -0.677 . . . . 60.11 109.172 173.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.476 HD22 HG22 ' A' ' 45' ' ' ILE . 38.8 m-80 63.86 -71.93 0.06 Allowed 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.506 1.523 . . . . 75.42 111.299 -177.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.82 -7.43 0.36 Allowed Glycine 0 N--CA 1.471 0.985 0 CA-C-N 115.901 -0.59 . . . . 64.35 113.1 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.8 143.16 31.97 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.439 0.696 . . . . 75.11 109.918 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -127.5 117.02 21.31 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.366 0.667 . . . . 73.31 109.243 173.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.535 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 19.3 t70 -97.78 110.65 23.18 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 108.105 -1.072 . . . . 61.13 108.105 175.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -117.13 115.26 25.0 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.747 -0.464 . . . . 72.1 109.747 -174.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.7 mt -121.89 122.92 68.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 124.448 1.099 . . . . 70.25 108.581 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.539 ' HG2' HG13 ' A' ' 40' ' ' VAL . 58.4 mtt180 -113.0 118.36 34.59 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.367 0.667 . . . . 65.14 109.5 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 65' ' ' LEU . 24.3 m -114.03 150.24 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.851 0.86 . . . . 71.0 110.23 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -134.9 116.7 15.04 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.795 0.838 . . . . 64.31 109.884 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.79 82.85 0.13 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.561 1.144 . . . . 75.22 111.157 -178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.573 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -123.16 162.98 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.922 0.889 . . . . 74.21 110.913 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m -102.35 -176.08 3.01 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.763 0.825 . . . . 72.12 111.226 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -60.88 -39.26 88.56 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 113.726 1.01 . . . . 74.35 113.726 -171.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -28.81 24.9 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.233 0.469 . . . . 54.55 110.004 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -61.24 -43.11 99.41 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.553 0.741 . . . . 52.23 111.674 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.4 pp -74.41 -23.74 59.0 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.555 -0.293 . . . . 61.42 110.284 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 79.0 mttt -68.31 -20.37 64.74 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 122.229 -0.294 . . . . 72.25 110.817 170.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 13.6 mmmm -70.76 -29.9 66.25 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.851 -0.796 . . . . 63.41 108.851 173.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 93.5 mt -65.95 -44.67 84.34 Favored 'General case' 0 C--N 1.368 1.375 0 N-CA-C 109.067 -0.716 . . . . 75.41 109.067 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.611 HD11 ' HB2' ' A' ' 26' ' ' ARG . 84.9 mt -58.13 -39.06 77.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.893 -1.049 . . . . 74.23 111.082 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 49.2 mt-10 -71.16 -33.76 70.32 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.761 -0.654 . . . . 74.4 111.059 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 5.6 mmp_? -67.03 -37.69 84.57 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.621 0.191 . . . . 74.05 110.888 175.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.411 HD11 HG11 ' A' ' 41' ' ' VAL . 74.4 mt -68.18 -45.5 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.687 0.795 . . . . 75.13 109.854 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.512 ' HB3' HD11 ' A' ' 22' ' ' LEU . 20.7 ptt180 -62.89 -35.43 80.0 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 116.191 -0.458 . . . . 74.43 110.036 -174.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 49.2 mm-40 -55.1 -44.58 75.05 Favored 'General case' 0 C--N 1.367 1.345 0 O-C-N 123.637 0.585 . . . . 71.11 109.607 176.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -69.51 -53.66 17.99 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 124.294 0.996 . . . . 73.34 110.223 -172.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.629 HG22 HG21 ' A' ' 81' ' ' VAL . 23.0 pt -67.12 -25.73 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 CA-C-N 115.654 -0.703 . . . . 75.42 111.871 -173.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -88.05 -43.22 11.87 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.642 0.608 . . . . 75.01 112.642 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 15.0 ptm180 -62.79 -39.36 93.98 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.311 0.244 . . . . 74.13 110.352 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.533 ' HG3' HG21 ' A' ' 45' ' ' ILE . 13.4 mm-40 -82.35 -57.13 3.5 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 109.615 -0.513 . . . . 75.21 109.615 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.66 10.41 84.79 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-N 115.669 -0.696 . . . . 61.33 113.274 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 p -86.45 142.62 28.27 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 123.802 0.841 . . . . 71.13 111.389 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.0 m -85.1 60.91 6.54 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.958 0.885 . . . . 60.12 109.744 170.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -148.58 29.56 0.84 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.247 -1.342 . . . . 74.33 107.87 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.629 HG21 HG22 ' A' ' 73' ' ' ILE . 2.6 p -105.21 112.74 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.965 0.888 . . . . 72.33 110.266 175.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -107.3 121.62 44.92 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.398 1.479 . . . . 73.35 107.936 170.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 59.2 t -96.29 145.05 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 106.946 -1.502 . . . . 73.4 106.946 176.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.23 109.94 11.55 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.506 -1.294 . . . . 63.12 107.506 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.5 t -91.99 130.13 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.655 -0.869 . . . . 51.51 108.655 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.607 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 11.0 m-70 -123.76 127.57 48.31 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 106.422 -1.696 . . . . 73.34 106.422 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -158.42 124.93 4.73 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.425 0.557 . . . . 73.43 110.981 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.45 28.57 71.38 Favored Glycine 0 C--N 1.354 1.549 0 O-C-N 124.036 0.835 . . . . 44.43 114.421 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.25 -20.62 49.77 Favored Glycine 0 C--N 1.346 1.091 0 CA-C-O 119.852 -0.415 . . . . 71.15 113.267 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.45 153.75 25.5 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.069 0.547 . . . . 75.33 111.138 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 73.7 m -141.97 132.83 25.78 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.423 1.089 . . . . 74.23 108.942 172.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -118.45 147.19 43.85 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.567 0.747 . . . . 64.55 109.043 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.0 m -101.32 133.88 45.24 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.64 0.776 . . . . 75.24 109.57 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.413 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 69.9 m-85 -125.84 120.53 30.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.264 1.026 . . . . 74.23 109.135 -175.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -128.2 132.86 48.82 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.241 0.617 . . . . 62.25 110.156 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.02 160.16 25.96 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.676 0.791 . . . . 64.12 111.192 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt . . . . . 0 C--O 1.252 1.213 0 N-CA-C 108.772 -0.825 . . . . 73.14 108.772 -177.439 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 121.419 0.628 . . . . 73.21 109.576 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.07 105.59 0.19 Allowed Glycine 0 C--N 1.342 0.886 0 N-CA-C 110.695 -0.962 . . . . 64.03 110.695 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -79.53 83.19 5.55 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.635 0.774 . . . . 72.31 109.64 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -69.15 97.84 0.95 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.574 0.75 . . . . 73.1 110.208 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.7 p-80 -106.65 -59.39 1.8 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.152 -0.931 . . . . 65.24 108.742 171.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 50.11 13.62 0.11 Allowed 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 126.03 1.732 . . . . 74.05 113.627 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -89.85 78.44 6.83 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.561 0.695 . . . . 74.22 109.896 -168.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -137.36 166.57 23.5 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 114.687 -1.142 . . . . 74.51 108.402 172.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 63.91 20.39 12.18 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.838 1.255 . . . . 75.02 110.634 -173.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.05 160.21 8.36 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.356 1.062 . . . . 71.55 111.744 -172.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.74 76.85 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.21 1.004 . . . . 50.1 112.195 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -73.85 -41.67 61.91 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.598 -1.26 . . . . 74.41 107.598 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -96.48 128.6 43.56 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.348 -1.296 . . . . 75.14 108.145 166.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -93.27 23.26 4.55 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.579 0.752 . . . . 74.22 111.05 -175.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -66.49 86.81 0.12 Allowed 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.432 0.693 . . . . 71.13 109.768 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -150.99 153.19 34.7 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.733 0.813 . . . . 72.44 110.868 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.6 tpt -138.98 68.91 1.37 Allowed 'General case' 0 C--O 1.235 0.323 0 N-CA-C 105.948 -1.871 . . . . 52.5 105.948 163.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.5 p -79.76 -9.33 59.64 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 114.033 -1.44 . . . . 73.41 111.706 -176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 23' ' ' GLU . 7.3 m-20 -60.48 -13.61 14.68 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.131 0.972 . . . . 73.13 112.716 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HB2' HD12 ' A' ' 21' ' ' LEU . 46.1 mm-40 -51.55 -43.8 62.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.442 0.697 . . . . 44.51 110.991 168.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 20' ' ' GLU . 2.8 mp -98.56 -35.5 10.21 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.026 0.93 . . . . 63.43 110.191 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 70' ' ' ARG . 52.0 mt -85.5 -37.13 20.04 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.794 1.405 . . . . 62.53 114.794 -166.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 40.0 tt0 -63.22 -37.23 86.41 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 118.677 0.672 . . . . 73.34 111.195 -174.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -66.73 -29.22 69.15 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 116.069 -0.514 . . . . 73.3 110.799 174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.79 -40.94 72.28 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 109.115 -0.698 . . . . 75.41 109.115 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -52.93 -50.12 64.63 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 124.192 0.933 . . . . 74.45 109.924 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 81.4 mm-40 -62.96 -37.22 86.24 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.52 1.137 . . . . 62.13 110.967 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.36 -42.01 93.23 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.266 0.626 . . . . 73.31 110.303 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 37.2 m-85 -72.99 -37.93 66.83 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.165 0.586 . . . . 73.3 110.917 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.1 -35.08 77.61 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.558 0.743 . . . . 74.22 110.129 174.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -70.42 -55.8 8.17 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.231 -0.895 . . . . 74.15 110.102 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 83.7 mt -64.63 -17.8 64.36 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.424 1.09 . . . . 73.22 112.077 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -58.43 -20.72 47.07 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 124.174 0.99 . . . . 71.31 112.003 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -56.46 -38.73 72.07 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.748 1.219 . . . . 73.03 111.705 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.443 ' HG3' HG23 ' A' ' 37' ' ' THR . 5.9 ptm180 -112.64 -20.2 11.78 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.265 1.026 . . . . 75.42 110.491 -169.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.16 37.72 87.35 Favored Glycine 0 C--N 1.352 1.434 0 O-C-N 124.138 0.899 . . . . 72.31 113.298 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.443 HG23 ' HG3' ' A' ' 35' ' ' ARG . 12.8 p -69.18 153.86 43.0 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.914 0.486 . . . . 71.23 111.001 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.16 102.17 1.62 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.047 0.927 . . . . 75.14 109.46 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.1 mt -92.48 112.92 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 114.387 -1.279 . . . . 61.53 108.867 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 41.8 t -101.56 102.84 14.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.265 -1.383 . . . . 73.54 107.265 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.2 t -93.49 110.98 24.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 108.033 -1.099 . . . . 74.32 108.033 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 14.7 tp10 -111.63 105.75 14.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.271 1.028 . . . . 75.04 108.67 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 38.1 t -89.82 134.27 29.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 N-CA-C 107.681 -1.229 . . . . 71.22 107.681 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 65.2 m170 -130.6 108.88 10.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.424 1.089 . . . . 63.02 108.785 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.492 HG12 ' HA ' ' A' ' 81' ' ' VAL . 35.1 mt -139.22 97.3 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.654 0.781 . . . . 65.43 109.843 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.451 ' ND2' ' HB3' ' A' ' 80' ' ' GLU . 23.3 m-80 56.67 26.84 11.72 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.711 1.205 . . . . 72.35 113.754 169.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.0 -26.87 8.09 Favored Glycine 0 N--CA 1.469 0.875 0 N-CA-C 111.9 -0.48 . . . . 62.25 111.9 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -78.39 107.18 10.83 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.047 0.539 . . . . 72.2 109.731 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 35.7 ptt180 -111.39 151.01 28.98 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.691 -0.686 . . . . 64.22 109.332 176.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -146.71 114.55 6.48 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.187 -0.672 . . . . 74.51 109.187 -175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.2 107.21 17.93 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.003 0.921 . . . . 72.24 109.722 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.0 mt -111.91 107.34 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 108.439 -0.949 . . . . 65.24 108.439 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -100.69 103.65 14.92 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 108.311 -0.996 . . . . 72.33 108.311 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.5 m -113.36 152.19 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 124.857 1.263 . . . . 54.23 108.904 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -122.19 -58.03 1.74 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 121.501 0.667 . . . . 53.43 109.352 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -116.58 91.77 3.68 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.034 -0.984 . . . . 53.11 108.637 -175.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 pp -120.89 111.78 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.957 0.903 . . . . 73.13 110.323 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -77.92 174.77 10.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.748 0.819 . . . . 74.04 110.031 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -34.1 9.57 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 115.289 1.589 . . . . 73.3 115.289 -169.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -88.15 -30.08 20.07 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.994 0.518 . . . . 73.15 111.899 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -84.7 -28.53 26.29 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.997 0.74 . . . . 71.15 112.997 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.653 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.5 pp -72.58 -26.09 61.58 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.759 -0.46 . . . . 62.32 109.759 176.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.7 mmmm -52.24 -36.83 53.47 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 114.782 -1.099 . . . . 74.22 111.127 168.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 25.9 mmtp -62.36 -30.95 71.55 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.798 0.439 . . . . 64.45 111.144 -175.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.4 mm? -61.54 -46.5 89.66 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.675 0.79 . . . . 53.2 110.857 -177.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.1 pp -81.89 -29.13 32.56 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.439 -0.801 . . . . 70.23 110.835 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 44.0 mt-10 -73.25 -19.01 61.16 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.884 0.473 . . . . 64.35 111.137 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 4.1 mmp_? -70.7 -37.65 73.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.865 0.466 . . . . 61.31 110.741 166.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -72.67 -38.7 59.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 122.952 0.501 . . . . 74.11 111.181 -176.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.627 ' HB3' HD11 ' A' ' 22' ' ' LEU . 7.8 ptp85 -59.1 -42.85 91.49 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.176 0.298 . . . . 75.21 110.794 -176.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 5.8 pt-20 -64.89 -33.12 75.27 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 109.449 -0.574 . . . . 75.32 109.449 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 72.2 mmtt -65.15 -53.0 51.78 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.926 -0.768 . . . . 65.1 108.926 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 pp -66.87 -25.8 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 115.488 -0.778 . . . . 74.43 111.06 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.43 -55.03 4.21 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 123.517 0.727 . . . . 52.24 112.506 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 37.2 ptt85 -83.16 -34.31 26.02 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 112.594 0.59 . . . . 75.54 112.594 -170.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -70.24 -46.01 65.32 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.72 -1.215 . . . . 74.21 107.72 165.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.5 -29.49 2.28 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-N 115.31 -0.859 . . . . 72.02 114.613 171.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.7 m -61.06 121.02 11.41 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.552 1.141 . . . . 70.43 111.172 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 p -74.96 78.48 2.17 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.564 1.145 . . . . 55.52 111.337 -176.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.451 ' HB3' ' ND2' ' A' ' 46' ' ' ASN . 1.9 tm-20 -162.2 94.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 104.986 -2.227 . . . . 75.53 104.986 174.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.492 ' HA ' HG12 ' A' ' 45' ' ' ILE . 47.3 t -125.21 132.7 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.839 0.856 . . . . 73.33 108.97 -172.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.537 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 34.4 tt0 -141.79 108.32 5.32 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.467 0.707 . . . . 72.31 109.658 174.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -100.85 129.2 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 108.638 -0.875 . . . . 71.12 108.638 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.558 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 8.4 m120 -119.19 107.72 13.78 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.508 -0.923 . . . . 72.01 108.508 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 91' ' ' THR . 89.0 t -99.6 104.16 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 108.927 -0.768 . . . . 52.42 108.927 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.439 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 44.1 m-70 -98.84 112.54 24.6 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.018 0.927 . . . . 62.52 109.01 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.9 p -159.7 129.84 5.57 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 122.917 0.487 . . . . 74.22 110.229 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.31 30.64 77.06 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.931 0.769 . . . . 32.11 114.021 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.27 -2.36 87.87 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-O 119.879 -0.4 . . . . 60.43 113.465 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -106.2 157.66 17.41 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.693 0.797 . . . . 73.03 110.045 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 89.8 m -141.04 116.71 10.28 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 123.754 0.821 . . . . 42.54 109.622 173.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -95.66 116.65 29.16 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.173 -0.677 . . . . 74.12 109.173 174.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.6 p -99.33 104.58 16.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.426 0.69 . . . . 70.34 110.218 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -102.48 108.34 19.62 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.035 0.934 . . . . 74.55 110.181 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -102.61 154.41 19.16 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.544 0.738 . . . . 65.32 109.038 173.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -69.71 158.86 34.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 119.516 -0.278 . . . . 75.41 110.446 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.57 1.745 0 C-N-CA 125.709 1.604 . . . . 74.41 115.202 -162.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.2 ttm . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 110.368 -0.234 . . . . 74.23 110.368 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.19 97.96 0.12 Allowed Glycine 0 C--N 1.348 1.204 0 CA-C-N 116.322 -0.399 . . . . 34.1 112.14 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -97.33 102.35 14.11 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 108.952 -0.759 . . . . 70.32 108.952 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -157.77 122.65 4.38 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 107.114 -1.439 . . . . 73.04 107.114 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -65.98 100.35 0.57 Allowed 'General case' 0 C--N 1.351 0.639 0 O-C-N 123.868 0.73 . . . . 72.04 110.222 -174.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -74.8 -54.26 7.64 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.246 -0.888 . . . . 60.34 110.167 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -77.25 90.45 3.73 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.129 -0.693 . . . . 70.15 109.129 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -68.73 86.92 0.33 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.516 0.726 . . . . 75.04 110.082 177.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -83.23 90.76 7.15 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.419 -0.81 . . . . 71.11 109.323 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -77.02 79.82 3.55 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.827 -0.624 . . . . 72.31 109.359 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 mt -131.17 89.14 2.69 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.875 0.87 . . . . 74.51 108.943 175.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -102.54 22.84 12.86 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.016 0.926 . . . . 72.24 109.701 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -78.73 66.33 4.2 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.432 1.093 . . . . 75.33 108.665 171.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -99.75 119.88 38.84 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.014 -0.994 . . . . 60.03 109.683 -170.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -71.87 79.03 0.88 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 106.017 -1.845 . . . . 72.41 106.017 162.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -78.26 80.92 4.65 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 114.616 -1.175 . . . . 71.25 111.416 -157.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.2 tpp -97.11 139.55 32.93 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 106.882 -1.525 . . . . 73.32 106.882 168.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -65.14 141.05 58.83 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 109.748 -0.464 . . . . 61.12 109.748 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.87 162.54 23.92 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.021 0.529 . . . . 61.24 110.133 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.06 -1.34 4.08 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.493 0.717 . . . . 73.22 112.718 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 25' ' ' LEU . 4.3 pp -51.31 -28.71 12.8 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 124.122 0.969 . . . . 62.42 112.309 176.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.561 ' HB3' HD13 ' A' ' 66' ' ' LEU . 61.4 mt -56.21 -57.32 12.69 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 109.914 -0.402 . . . . 71.5 109.914 172.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 1.3 tt0 -65.34 -33.03 75.02 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.535 -1.211 . . . . 73.14 110.818 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -63.8 -37.52 87.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.637 0.775 . . . . 73.1 110.09 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 21' ' ' LEU . 9.2 mp -79.86 -30.02 40.2 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 115.847 -0.615 . . . . 53.24 110.161 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -61.8 -46.85 87.75 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 123.376 0.423 . . . . 60.23 109.864 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 58.5 mm-40 -62.51 -36.17 81.7 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.029 0.83 . . . . 75.31 110.483 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.08 -47.62 76.63 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.09 -0.959 . . . . 63.03 110.739 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' HB2' HD13 ' A' ' 62' ' ' LEU . 17.8 m-30 -67.04 -37.99 85.09 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.949 0.5 . . . . 74.3 110.735 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.88 -38.74 92.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.114 0.965 . . . . 64.04 110.842 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.58 -50.6 64.53 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.456 0.473 . . . . 73.23 109.736 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD13 HG12 ' A' ' 39' ' ' ILE . 64.4 mt -61.55 -30.19 70.49 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.028 0.931 . . . . 63.02 111.144 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -60.91 -17.54 51.43 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.174 1.39 . . . . 75.11 112.21 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.17 -30.86 66.74 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.378 0.671 . . . . 71.12 111.457 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -26.57 6.95 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 122.984 0.514 . . . . 73.04 110.856 171.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.28 50.28 3.69 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 109.505 -1.438 . . . . 64.21 109.505 -172.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.408 ' O ' HG13 ' A' ' 39' ' ' ILE . 1.5 m -55.76 157.82 3.98 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.405 1.482 . . . . 72.12 112.981 -175.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.536 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 5.0 pt-20 -58.59 86.54 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.724 0.81 . . . . 74.23 110.786 167.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.49 HG12 HD13 ' A' ' 32' ' ' LEU . 39.6 mt -94.18 110.37 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 109.072 -0.714 . . . . 62.21 109.072 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 62.1 t -114.06 104.89 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 108.951 -0.759 . . . . 74.22 108.951 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.586 HG21 ' HB3' ' A' ' 65' ' ' LEU . 57.3 t -93.15 109.79 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 N-CA-C 108.32 -0.993 . . . . 64.41 108.32 178.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -120.87 107.04 12.22 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.792 0.837 . . . . 54.14 108.839 -172.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 21.6 t -99.83 102.41 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.566 0.746 . . . . 65.05 109.733 -170.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.62 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 47.6 m-70 -91.65 97.2 10.88 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.617 0.767 . . . . 72.43 109.613 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.478 HG21 ' HG2' ' A' ' 76' ' ' GLU . 6.8 mt -117.7 113.26 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.308 0.643 . . . . 73.02 110.151 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.465 HD22 HG23 ' A' ' 45' ' ' ILE . 43.9 m-80 50.16 28.49 3.1 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.409 1.484 . . . . 72.11 113.517 173.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.77 -34.13 4.18 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 122.365 -0.209 . . . . 52.13 112.977 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -79.79 145.93 32.56 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.765 0.426 . . . . 71.22 110.369 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -121.59 121.18 36.83 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.857 0.863 . . . . 71.21 109.04 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 22.9 t70 -104.17 111.98 24.81 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.985 -1.117 . . . . 71.14 107.985 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -104.97 116.86 32.67 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.727 0.411 . . . . 62.3 110.551 -172.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.3 mt -117.43 113.29 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 107.813 -1.18 . . . . 64.15 107.813 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HG2' HG13 ' A' ' 40' ' ' VAL . 47.5 mtm180 -112.33 112.1 23.44 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 109.48 -0.563 . . . . 74.5 109.48 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HA ' HH21 ' A' ' 55' ' ' ARG . 30.8 m -131.13 152.24 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.806 1.242 . . . . 71.52 109.087 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG3' ' HA ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -121.9 -85.33 0.66 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.132 -0.692 . . . . 72.44 109.132 171.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.68 90.86 8.41 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 108.712 -0.847 . . . . 73.11 108.712 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.615 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.6 pp -117.15 174.03 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 114.421 -1.263 . . . . 71.42 109.994 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.2 m -97.36 175.61 6.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.218 0.607 . . . . 73.32 111.359 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HD3' ' H ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -73.28 -35.01 66.09 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.012 0.525 . . . . 63.25 112.011 -174.15 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -81.39 -25.14 36.51 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.927 0.394 . . . . 52.1 109.996 174.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -73.69 -37.45 65.19 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.059 -0.518 . . . . 51.2 111.501 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.615 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.5 pp -72.3 -24.05 61.27 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 122.378 -0.201 . . . . 72.31 110.853 176.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -57.47 -34.88 69.48 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 116.149 -0.478 . . . . 54.01 110.544 168.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 25.3 mmmt -63.21 -33.94 76.57 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 119.159 -0.448 . . . . 75.2 110.841 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.586 ' HB3' HG21 ' A' ' 41' ' ' VAL . 85.2 mt -56.59 -47.4 79.65 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 123.815 0.697 . . . . 64.4 111.101 -175.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 22' ' ' LEU . 3.7 pp -83.15 -27.09 30.34 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.711 -1.131 . . . . 63.21 111.255 -178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 53.3 mt-10 -70.24 -26.4 63.82 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.212 0.205 . . . . 64.45 111.374 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 1.3 mmp_? -65.51 -42.49 92.03 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 108.814 -0.81 . . . . 64.22 108.814 172.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.29 -47.82 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.003 0.921 . . . . 64.12 111.263 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 19.6 ptt180 -59.05 -37.67 77.58 Favored 'General case' 0 C--N 1.364 1.224 0 O-C-N 123.782 0.676 . . . . 75.14 109.971 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' HB3' ' NH2' ' A' ' 75' ' ' ARG . 44.4 mt-10 -58.89 -41.93 88.33 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.386 0.674 . . . . 71.1 110.58 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 69.4 mmtt -66.44 -53.73 32.15 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.911 0.757 . . . . 65.24 109.409 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.9 pp -66.35 -31.95 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 112.035 0.383 . . . . 72.03 112.035 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -64.3 -47.92 77.66 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.676 0.39 . . . . 54.04 110.352 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.501 ' NH2' ' HB3' ' A' ' 71' ' ' GLU . 6.8 ptp180 -74.29 -33.9 63.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.313 0.486 . . . . 54.43 112.313 -172.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -79.98 -53.74 6.45 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.196 0.198 . . . . 70.5 110.79 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.2 35.01 68.35 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.345 0.403 . . . . 72.42 113.641 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.4 t -99.81 -163.73 1.06 Allowed 'General case' 0 C--O 1.244 0.775 0 C-N-CA 124.313 1.045 . . . . 74.44 109.578 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 m -131.45 51.75 2.12 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.148 0.579 . . . . 63.15 110.26 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -157.26 101.35 1.89 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.749 -0.834 . . . . 73.05 108.749 171.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.83 140.37 39.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 123.978 0.911 . . . . 72.35 110.167 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.62 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 11.1 tp10 -143.08 139.17 30.36 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.015 1.326 . . . . 54.43 107.868 175.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 63.3 t -132.43 109.73 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.436 -0.949 . . . . 54.32 108.436 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -103.24 109.0 20.44 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.148 0.579 . . . . 74.13 109.652 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -93.8 123.54 45.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 107.519 -1.289 . . . . 75.33 107.519 170.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 25.9 m-70 -114.36 112.71 23.49 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.375 -1.343 . . . . 64.2 107.375 -177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 20.3 m -149.34 123.05 9.23 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.312 0.645 . . . . 72.15 110.704 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.424 ' H ' ' HG3' ' A' ' 38' ' ' GLU . . . 72.22 21.04 79.42 Favored Glycine 0 C--N 1.348 1.25 0 O-C-N 124.058 0.849 . . . . 42.41 113.052 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.37 -20.37 46.84 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 120.04 -0.311 . . . . 75.22 113.075 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -83.38 142.06 31.3 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.096 0.558 . . . . 74.24 110.154 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.2 m -124.62 116.48 22.47 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.391 0.676 . . . . 70.22 109.617 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -90.1 117.08 28.61 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.875 0.87 . . . . 74.11 108.964 173.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.2 p -97.46 104.65 16.69 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.496 0.718 . . . . 74.23 110.505 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.513 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 87.5 m-85 -96.79 103.22 15.13 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.482 -0.932 . . . . 71.11 108.482 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -111.89 161.08 16.78 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 124.809 1.243 . . . . 72.41 109.38 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -50.33 140.97 12.5 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.0 0.92 . . . . 73.34 112.242 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt . . . . . 0 CA--C 1.558 1.279 0 CA-C-N 114.775 -1.102 . . . . 65.31 110.967 -171.778 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.558 0.218 . . . . 62.4 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.06 -116.92 4.34 Favored Glycine 0 C--N 1.347 1.157 0 CA-C-N 115.654 -0.703 . . . . 31.21 112.618 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -72.43 85.75 1.13 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 123.663 0.785 . . . . 50.52 111.621 -175.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -157.26 76.51 0.84 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.204 0.602 . . . . 75.53 109.446 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -83.0 65.09 7.95 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.542 0.687 . . . . 73.25 111.184 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -161.66 79.07 0.56 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.781 -0.822 . . . . 54.32 108.781 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -65.35 84.91 0.06 Allowed 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 122.131 0.967 . . . . 72.11 110.803 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -85.59 91.67 8.33 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.068 -0.969 . . . . 44.42 111.657 -169.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -88.45 84.19 6.81 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.23 -1.396 . . . . 63.22 107.23 165.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.21 -30.52 64.62 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.32 1.048 . . . . 65.34 112.155 -169.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.6 mt 62.21 26.76 16.07 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.188 0.995 . . . . 72.02 109.88 -171.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -126.22 -160.71 1.0 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.535 1.534 . . . . 75.32 109.458 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -78.85 113.17 16.72 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 109.006 -0.739 . . . . 70.35 109.006 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -17.04 62.72 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.957 0.503 . . . . 73.31 111.587 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.3 m 57.69 71.8 0.56 Allowed 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.514 1.526 . . . . 73.41 112.196 168.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 59.19 37.23 23.95 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.999 0.92 . . . . 54.23 111.301 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 62.86 15.47 8.29 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 124.982 1.313 . . . . 53.24 112.856 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 m -82.4 -26.44 32.8 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.279 0.631 . . . . 62.41 112.051 -171.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.79 82.78 0.89 Allowed 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 122.244 1.021 . . . . 71.41 111.416 -172.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -153.24 -57.16 0.13 Allowed 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.405 -1.331 . . . . 71.22 107.405 171.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.03 -32.62 74.02 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 124.063 0.852 . . . . 52.21 110.04 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -54.04 -56.84 14.18 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.14 0.9 . . . . 71.02 109.728 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 40.1 tt0 -65.56 -32.79 74.57 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 119.323 -0.37 . . . . 74.54 111.522 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -61.01 -32.27 71.86 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.047 0.385 . . . . 71.44 110.8 176.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -83.16 -31.24 27.26 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 109.436 -0.579 . . . . 70.44 109.436 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.598 ' HB2' HD21 ' A' ' 66' ' ' LEU . 67.6 ttp85 -64.97 -41.29 95.57 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 122.717 0.407 . . . . 74.51 109.95 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.6 mm-40 -61.34 -39.09 89.28 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.902 0.751 . . . . 54.44 109.548 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 58.9 tp -62.33 -44.87 95.48 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.265 -0.879 . . . . 72.53 110.521 174.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.529 ' HB3' HD22 ' A' ' 62' ' ' LEU . 25.7 m-85 -72.36 -26.69 62.01 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.997 0.519 . . . . 72.53 111.954 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 11.7 mm-40 -78.18 -24.55 47.16 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.465 0.706 . . . . 54.3 109.252 175.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -75.75 -32.19 59.88 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.078 0.951 . . . . 55.22 109.754 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 83.8 mt -84.35 -18.07 37.38 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 114.582 -1.19 . . . . 60.31 110.948 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 30' ' ' GLU . 3.5 t-160 -54.38 -29.88 50.08 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.516 1.127 . . . . 72.34 111.821 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.64 -36.49 80.93 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.002 0.521 . . . . 51.43 111.945 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.42 -44.16 5.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.789 0.436 . . . . 62.32 110.49 -178.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.41 39.15 97.41 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.968 0.793 . . . . 61.33 113.204 -175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 t -71.96 -173.69 1.07 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.765 0.826 . . . . 70.55 110.822 -176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 1.9 pm0 -63.5 97.29 0.14 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.359 0.6 . . . . 75.22 110.286 173.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.8 mt -95.56 109.64 22.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.501 -1.296 . . . . 74.52 107.501 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.527 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 41.5 t -112.65 106.02 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 108.296 -1.001 . . . . 72.14 108.296 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.1 109.79 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.252 -1.018 . . . . 73.4 108.252 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 63.1 tt0 -116.84 105.86 12.83 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.897 0.879 . . . . 65.45 109.282 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.51 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 59.7 t -98.07 103.39 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.454 1.102 . . . . 71.34 108.858 -170.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 63.8 m170 -87.92 104.67 16.83 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.722 0.809 . . . . 74.5 109.332 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 40.3 mt -127.2 123.59 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 109.02 -0.733 . . . . 62.15 109.02 173.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 65.36 19.04 11.55 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.222 1.009 . . . . 63.13 112.874 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.96 -19.94 45.09 Favored Glycine 0 C--N 1.35 1.324 0 C-N-CA 123.061 0.362 . . . . 41.25 112.934 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 43.8 mt-10 -83.27 152.05 25.34 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.918 0.887 . . . . 71.5 110.618 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -121.68 129.62 52.89 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 124.365 1.066 . . . . 74.42 109.539 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.51 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 24.6 t70 -107.07 107.35 18.31 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.226 -1.398 . . . . 51.53 107.226 170.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -115.31 115.4 26.57 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.958 0.503 . . . . 63.31 109.951 -167.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 40' ' ' VAL . 10.6 mt -119.3 107.56 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 108.677 -0.86 . . . . 64.34 108.677 -175.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 126.89 34.28 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.966 -1.124 . . . . 75.21 107.966 174.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.437 HG11 HD11 ' A' ' 65' ' ' LEU . 4.8 p -139.67 139.78 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 109.143 -0.688 . . . . 63.54 109.143 172.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 35.2 mtp180 -135.72 133.17 37.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.527 0.731 . . . . 74.03 109.479 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.3 m120 59.2 80.24 0.2 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.742 1.217 . . . . 74.14 111.271 170.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.9 pp -144.32 166.34 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.362 0.665 . . . . 72.02 112.222 -173.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.511 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 13.2 m -83.99 173.27 11.3 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.275 1.03 . . . . 60.41 110.564 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HA ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.87 -24.37 55.72 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 111.996 0.369 . . . . 72.2 111.996 -178.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -75.31 -18.78 59.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.506 0.322 . . . . 63.13 111.051 172.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HG3' ' HB2' ' A' ' 58' ' ' SER . 27.9 mt-10 -89.56 -42.37 11.46 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.359 0.663 . . . . 74.25 110.463 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 59' ' ' LYS . 4.3 pp -69.17 -21.02 64.01 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 122.389 -0.194 . . . . 73.31 110.746 173.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -36.57 63.22 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 124.151 0.98 . . . . 74.35 110.155 171.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 14.1 mmmm -62.94 -31.01 72.01 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.612 -0.722 . . . . 71.41 110.676 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 69' ' ' ILE . 68.2 mt -61.12 -46.1 91.97 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.665 0.386 . . . . 74.5 110.035 176.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 26' ' ' ARG . 7.5 mp -58.44 -47.51 83.72 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 124.174 0.921 . . . . 71.14 110.8 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 10.0 pt-20 -70.62 -29.64 66.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.771 -0.649 . . . . 62.02 111.115 -175.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 12.9 mmp_? -64.4 -36.87 85.54 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.665 0.211 . . . . 73.44 110.57 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 65' ' ' LEU . 67.1 mt -66.79 -48.13 80.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.732 0 O-C-N 124.172 0.92 . . . . 64.24 109.942 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 6.9 ptm180 -60.53 -36.38 78.27 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 123.224 0.328 . . . . 72.04 110.571 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 30.4 mm-40 -59.41 -37.83 79.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.341 0.256 . . . . 74.3 110.75 176.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -75.11 -50.3 16.81 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.766 0.426 . . . . 74.11 110.541 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.4 pp -65.22 -29.21 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 116.242 -0.435 . . . . 72.3 111.27 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -76.48 -52.09 10.49 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.526 0.731 . . . . 73.12 110.814 176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -61.27 -44.81 96.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.965 0.906 . . . . 74.35 111.212 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.6 -41.05 69.41 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.648 0.779 . . . . 60.44 110.284 174.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.21 44.23 97.99 Favored Glycine 0 C--N 1.35 1.35 0 N-CA-C 111.456 -0.658 . . . . 60.01 111.456 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 t -123.32 150.49 43.54 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.762 0.825 . . . . 75.3 110.942 -168.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 m -97.85 2.98 49.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.03 0.932 . . . . 54.02 111.039 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 7.1 tp10 -84.61 41.42 0.85 Allowed 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.401 1.08 . . . . 62.54 110.037 -177.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.5 t -99.92 129.51 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.061 0.944 . . . . 70.34 110.406 -170.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 36.2 tt0 -139.04 106.55 5.57 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.303 -0.999 . . . . 74.41 108.303 174.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.67 113.64 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 108.398 -0.964 . . . . 74.15 108.398 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.459 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -101.27 106.39 17.58 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.028 -1.101 . . . . 70.01 108.028 -178.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.12 109.16 21.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.849 -1.167 . . . . 70.23 107.849 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.527 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 88.1 m-70 -99.5 113.1 25.28 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.818 -1.179 . . . . 75.25 107.818 -178.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.1 t -153.38 110.5 3.46 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.254 0.479 . . . . 64.34 110.247 -173.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.65 28.44 73.54 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 123.769 0.668 . . . . 43.13 112.936 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.1 -2.45 86.93 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-O 120.175 -0.236 . . . . 32.31 113.673 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -94.58 124.08 38.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.819 0.848 . . . . 74.31 109.339 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.1 m -115.87 112.47 21.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 61.02 110.133 -177.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -101.39 121.99 42.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.774 0.829 . . . . 72.4 109.249 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.5 p -104.01 115.82 31.12 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.97 0.908 . . . . 65.21 110.396 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -104.45 112.07 24.98 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.944 0.898 . . . . 75.53 110.168 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -109.36 148.37 31.2 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.164 0.986 . . . . 71.34 110.811 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -95.7 133.5 39.71 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 108.759 -0.83 . . . . 73.31 108.759 166.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt . . . . . 0 CA--C 1.547 0.838 0 C-N-CA 123.937 0.895 . . . . 74.12 108.681 176.01 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.562 -0.162 . . . . 64.54 110.562 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 53.94 59.02 10.48 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 115.081 0.792 . . . . 54.42 115.081 170.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -85.54 87.64 7.42 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 122.328 -0.513 . . . . 71.24 110.211 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -167.94 98.1 0.45 Allowed 'General case' 0 C--N 1.353 0.733 0 O-C-N 123.508 0.505 . . . . 73.23 109.833 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -76.87 96.23 4.27 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 121.153 0.501 . . . . 70.32 111.061 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -101.47 114.37 28.32 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.348 1.059 . . . . 74.33 108.249 173.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -78.32 122.52 25.85 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.543 0.337 . . . . 71.44 110.759 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -77.05 -8.01 56.69 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.366 1.066 . . . . 72.04 110.417 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.42 101.8 2.04 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.48 1.112 . . . . 71.34 109.954 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -83.56 89.54 7.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.707 0.803 . . . . 55.23 109.881 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.88 98.47 2.47 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.262 0.625 . . . . 73.34 109.321 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -133.24 52.86 2.05 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.367 1.067 . . . . 72.32 109.043 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -116.26 -68.16 0.94 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.752 0.821 . . . . 71.53 109.087 -177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -87.93 -4.63 58.81 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.154 0.982 . . . . 75.13 110.995 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 m -67.32 135.52 53.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.808 0.843 . . . . 71.14 110.041 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -133.26 -70.79 0.53 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.353 -0.98 . . . . 54.12 108.353 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.8 ptp -174.22 -179.24 1.59 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.468 1.107 . . . . 64.21 109.514 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.414 HG21 HD11 ' A' ' 73' ' ' ILE . 9.9 t -143.22 31.37 1.37 Allowed 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.74 0.781 . . . . 73.32 110.321 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -72.41 80.92 1.04 Allowed 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.303 -0.862 . . . . 71.42 111.078 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.96 -57.49 0.03 OUTLIER 'General case' 0 C--O 1.239 0.551 0 N-CA-C 106.64 -1.615 . . . . 45.33 106.64 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.85 -47.35 86.78 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.444 -0.798 . . . . 73.32 109.117 169.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.3 mt -56.21 -39.29 72.25 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.326 -1.306 . . . . 65.15 111.567 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 8.9 tp10 -55.07 -42.02 72.23 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.321 1.013 . . . . 74.01 110.991 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -61.72 -34.36 75.66 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.332 -0.849 . . . . 71.05 110.944 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.51 -32.28 24.02 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.406 -0.816 . . . . 72.34 110.162 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -67.92 -37.96 82.32 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.147 0.579 . . . . 73.35 110.692 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 87.3 mm-40 -62.77 -40.02 95.98 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.303 -0.862 . . . . 73.12 110.342 175.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.81 -41.82 95.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.361 -0.836 . . . . 73.14 111.164 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.455 ' HB2' HD13 ' A' ' 62' ' ' LEU . 22.6 m-30 -65.23 -33.38 75.87 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.903 -0.589 . . . . 75.14 110.611 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.16 -37.72 84.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.76 0.824 . . . . 41.13 111.593 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 48.3 mt-10 -61.63 -37.24 83.24 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.497 0.719 . . . . 64.24 110.88 175.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 mt -81.53 -28.43 33.97 Favored 'General case' 0 CA--C 1.561 1.399 0 CA-C-O 121.552 0.691 . . . . 73.12 110.927 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -62.14 -35.26 78.24 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.44 1.096 . . . . 74.04 111.409 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.3 pt-20 -61.79 -28.9 69.79 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 123.399 0.437 . . . . 72.31 111.777 -177.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -108.81 -13.87 14.69 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.034 -0.53 . . . . 73.24 110.781 -170.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.92 44.47 68.13 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.813 0.696 . . . . 43.43 112.275 171.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.0 t -101.26 171.23 7.72 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 109.302 -0.629 . . . . 55.13 109.302 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -80.11 142.16 35.09 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.812 0.339 . . . . 71.24 111.012 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 57' ' ' ILE . 33.9 mt -117.1 112.56 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.499 -0.926 . . . . 60.42 108.499 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 73.3 t -101.49 101.67 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 108.818 -0.808 . . . . 45.5 108.818 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.88 111.32 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.1 -0.704 . . . . 60.24 109.1 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 43.7 tt0 -109.07 106.71 16.75 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.031 0.933 . . . . 65.25 109.284 -175.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 58.3 t -89.18 104.48 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 124.422 1.089 . . . . 71.45 109.508 -177.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 53.0 m170 -90.77 113.76 25.97 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.698 0.799 . . . . 71.22 108.868 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.43 HG21 ' HG3' ' A' ' 76' ' ' GLU . 23.8 mt -133.21 110.3 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 109.351 -0.611 . . . . 61.44 109.351 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.496 HD22 ' N ' ' A' ' 46' ' ' ASN . 0.7 OUTLIER 62.93 25.8 15.23 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.139 0.976 . . . . 64.13 112.297 170.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.9 -17.8 35.03 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 116.185 -0.461 . . . . 71.24 113.189 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 38.2 mt-10 -81.68 145.21 30.66 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.29 0.636 . . . . 70.14 110.449 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -123.39 128.82 50.4 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.361 1.064 . . . . 70.54 108.983 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 31.6 t70 -127.96 112.33 14.54 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.494 0.718 . . . . 74.14 109.354 178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -102.63 120.11 39.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.149 0.58 . . . . 75.05 109.856 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.7 mt -117.76 104.92 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.343 -0.984 . . . . 73.24 108.343 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HG2' HG22 ' A' ' 40' ' ' VAL . 75.7 mtp180 -94.27 115.1 27.3 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.575 -0.898 . . . . 75.04 108.575 176.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.58 ' HB ' HG21 ' A' ' 57' ' ' ILE . 6.8 m -112.05 105.37 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 108.349 -0.982 . . . . 65.22 108.349 170.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -95.82 107.59 19.85 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.347 -0.612 . . . . 75.14 109.347 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.445 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER 66.7 88.52 0.11 Allowed 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.404 1.065 . . . . 71.1 109.597 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.62 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.0 pp -126.93 157.48 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-N 115.441 -0.799 . . . . 73.31 111.108 -175.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.2 m -101.26 -177.45 3.45 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.64 0.776 . . . . 62.4 112.026 -172.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -56.76 -42.49 79.47 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.006 1.323 . . . . 72.22 113.429 -170.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -31.34 18.74 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.526 0.731 . . . . 72.14 110.938 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.65 -37.73 87.36 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.869 -0.605 . . . . 40.1 111.567 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.62 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.3 pp -66.35 -24.15 66.46 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.853 0.461 . . . . 75.43 111.645 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HA ' HD21 ' A' ' 66' ' ' LEU . 96.3 mttt -63.38 -25.86 68.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.428 0.691 . . . . 73.3 111.333 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 11.3 mmpt? -68.36 -22.68 64.65 Favored 'General case' 0 C--O 1.214 -0.791 0 CA-C-N 115.738 -0.665 . . . . 74.11 112.115 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -70.77 -53.29 16.03 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.899 0.48 . . . . 71.33 111.073 -177.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -63.56 -30.49 71.6 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.441 0.463 . . . . 75.44 110.961 173.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -64.89 -38.44 90.99 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 123.101 0.56 . . . . 54.45 111.111 172.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 3.3 mmp_? -71.44 -22.62 61.81 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.772 0.429 . . . . 75.13 111.791 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 66' ' ' LEU . 63.6 mt -82.07 -47.57 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.813 0.845 . . . . 75.42 110.147 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 6.5 ppt_? -60.72 -36.32 78.54 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.135 -0.939 . . . . 61.43 111.164 -173.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -30.75 69.48 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 109.112 -0.699 . . . . 72.3 109.112 -176.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 33.6 mmtp -66.03 -57.49 7.63 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 108.423 -0.954 . . . . 72.24 108.423 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.499 HG22 HG21 ' A' ' 81' ' ' VAL . 2.4 pp -63.75 -26.59 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 O-C-N 123.461 0.476 . . . . 74.24 112.156 -172.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -78.84 -38.69 37.39 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.244 0.618 . . . . 72.43 112.219 175.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mtp-105 -75.27 -44.25 46.89 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 122.961 0.504 . . . . 70.03 111.878 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 45' ' ' ILE . 24.3 mm-40 -72.05 -45.36 61.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.115 0.566 . . . . 71.33 109.656 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.73 -5.14 32.35 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.136 -0.938 . . . . 13.32 113.508 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.9 p -79.66 143.44 34.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.971 0.908 . . . . 75.12 109.992 -172.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.6 t -76.4 -30.33 57.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.05 0.94 . . . . 74.04 111.097 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.5 84.98 1.13 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.621 0.769 . . . . 41.53 110.735 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.499 HG21 HG22 ' A' ' 73' ' ' ILE . 56.9 t -135.51 133.18 52.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.27 1.028 . . . . 74.23 109.811 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -142.59 117.41 9.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.798 1.239 . . . . 72.2 108.992 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.2 t -99.45 117.61 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.424 0.69 . . . . 62.54 109.3 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER -101.93 108.07 19.41 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 108.149 -1.056 . . . . 73.32 108.149 177.637 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.8 t -92.58 108.56 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 107.172 -1.418 . . . . 74.15 107.172 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.618 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 62.0 m-70 -99.76 128.91 45.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.096 0.958 . . . . 75.42 108.61 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 t -157.64 112.32 2.67 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.109 -0.7 . . . . 71.34 109.109 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.47 26.45 71.8 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 123.689 0.618 . . . . 14.4 113.124 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.24 -18.31 49.27 Favored Glycine 0 C--N 1.349 1.255 0 C-N-CA 123.056 0.36 . . . . 74.45 113.341 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 21.8 mt-30 -79.25 142.81 35.87 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.87 0.868 . . . . 74.21 109.754 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.8 m -131.73 124.7 30.28 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 122.85 0.46 . . . . 73.02 109.867 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 -106.15 113.52 27.1 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.828 -1.175 . . . . 75.33 107.828 172.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.7 p -96.2 102.69 14.52 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.268 0.627 . . . . 64.4 109.933 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -91.12 105.67 17.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.638 -1.245 . . . . 74.34 107.638 174.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -118.89 131.85 56.07 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 109.217 -0.66 . . . . 72.25 109.217 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -80.44 107.9 13.62 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 107.177 -1.416 . . . . 73.52 107.177 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp . . . . . 0 C--O 1.248 1.02 0 C-N-CA 123.723 0.809 . . . . 73.23 109.936 -170.225 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 111.644 0.239 . . . . 74.01 111.644 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.97 64.62 1.2 Allowed Glycine 0 C--N 1.35 1.315 0 CA-C-N 117.025 -0.08 . . . . 72.52 112.925 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -106.13 115.33 30.05 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.048 -0.723 . . . . 72.31 109.048 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -129.59 138.79 51.47 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 123.95 0.9 . . . . 74.53 109.107 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -74.75 91.77 2.42 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.183 -0.673 . . . . 73.35 109.183 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -77.52 86.54 3.86 Favored 'General case' 0 C--O 1.242 0.671 0 N-CA-C 107.358 -1.349 . . . . 72.11 107.358 172.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -56.95 138.12 54.52 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.213 -0.903 . . . . 72.12 111.397 -170.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -76.38 167.22 22.25 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.479 -0.782 . . . . 63.23 110.887 -176.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.72 153.01 28.08 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.304 -0.862 . . . . 72.13 110.257 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -103.24 143.08 33.11 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.511 0.724 . . . . 72.54 109.999 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.532 ' HB2' ' HD2' ' A' ' 13' ' ' PHE . 2.6 pt? -68.24 139.99 56.03 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.737 0.648 . . . . 62.33 110.226 176.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -102.38 17.59 23.16 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.763 0.825 . . . . 73.22 110.752 176.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.532 ' HD2' ' HB2' ' A' ' 11' ' ' LEU . 96.3 m-85 -74.83 143.49 43.89 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.326 0.65 . . . . 73.34 109.857 175.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -64.89 -29.65 70.6 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.078 0.862 . . . . 63.34 110.979 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.7 p -70.78 78.53 0.61 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.662 0.785 . . . . 75.31 110.45 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -87.44 79.32 8.45 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.072 -1.084 . . . . 73.44 108.072 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 mtt -77.96 148.37 34.49 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.028 -0.987 . . . . 64.44 110.256 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.633 HG23 HD11 ' A' ' 73' ' ' ILE . 30.9 m -73.57 150.49 41.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.254 0.622 . . . . 74.02 110.45 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.52 154.51 41.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.331 0.652 . . . . 61.31 111.535 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -80.04 15.15 1.57 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.939 0.896 . . . . 75.4 113.178 -175.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -64.5 -22.29 66.92 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.907 0.483 . . . . 72.41 110.808 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.489 ' HB3' HD23 ' A' ' 66' ' ' LEU . 67.5 mt -56.7 -57.78 10.92 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 124.018 0.927 . . . . 55.03 111.395 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 38.6 tt0 -66.62 -21.3 66.12 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.208 -0.451 . . . . 73.43 111.782 -174.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -65.17 -37.44 87.38 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.982 0.513 . . . . 72.22 109.954 174.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.28 -34.83 63.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.87 -0.605 . . . . 74.42 110.409 172.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.551 HH11 ' HG3' ' A' ' 30' ' ' GLU . 6.9 tmm_? -61.1 -36.67 80.31 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.118 0.567 . . . . 42.3 110.167 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 72.4 mm-40 -60.12 -45.65 92.28 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.321 0.581 . . . . 73.34 110.354 175.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.0 -37.73 88.63 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.665 -1.152 . . . . 75.35 110.94 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.45 ' HB3' HD22 ' A' ' 62' ' ' LEU . 21.7 m-30 -75.2 -28.18 59.88 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.316 0.647 . . . . 73.22 110.804 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.551 ' HG3' HH11 ' A' ' 26' ' ' ARG . 37.5 mm-40 -69.73 -32.27 70.73 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.167 0.587 . . . . 65.24 110.666 171.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 40.4 tt0 -73.28 -34.81 65.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.625 0.77 . . . . 63.54 110.963 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 93.5 mt -79.21 -19.88 49.69 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 122.746 0.418 . . . . 71.03 110.418 175.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -66.74 -23.33 66.08 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.078 0.551 . . . . 74.04 111.072 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 1.9 pp20? -69.07 -24.22 64.13 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-O 119.778 -0.153 . . . . 73.51 111.054 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.513 ' HD2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -114.82 -9.48 12.5 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 117.592 0.178 . . . . 70.13 110.84 174.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.92 27.83 67.58 Favored Glycine 0 C--N 1.351 1.367 0 C-N-CA 123.858 0.742 . . . . 74.32 114.858 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.413 ' HB ' ' HG2' ' A' ' 35' ' ' ARG . 7.4 t -73.72 179.9 3.95 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.422 0.689 . . . . 32.13 111.781 -171.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 9.8 pt-20 -71.92 113.17 8.67 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.01 -0.996 . . . . 63.34 110.828 174.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.486 HD12 HD11 ' A' ' 57' ' ' ILE . 61.3 mt -97.24 119.24 45.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 108.575 -0.898 . . . . 73.05 108.575 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 18.2 t -108.03 103.01 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 108.572 -0.899 . . . . 60.23 108.572 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.461 HG21 ' HB3' ' A' ' 65' ' ' LEU . 45.2 t -94.81 138.44 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 108.114 -1.069 . . . . 73.32 108.114 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 38.7 tt0 -138.3 108.29 6.36 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.978 0.354 . . . . 72.33 110.649 -173.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 41.7 t -88.88 119.4 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.579 0.752 . . . . 71.52 109.963 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -104.99 111.43 24.21 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.856 0.863 . . . . 75.52 109.924 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.1 mt -137.16 114.17 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 109.498 -0.556 . . . . 74.34 109.498 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.36 16.01 5.92 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.111 1.364 . . . . 65.5 113.683 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.94 -15.83 13.57 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 119.829 -0.429 . . . . 74.14 113.198 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.93 117.02 21.2 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.209 0.604 . . . . 74.04 110.344 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -96.19 122.61 39.23 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 108.579 -0.897 . . . . 74.51 108.579 170.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.552 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 36.0 t70 -110.8 109.27 19.4 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.353 -0.98 . . . . 75.41 108.353 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -92.72 131.94 37.36 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.389 -0.596 . . . . 53.12 109.389 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 mt -131.39 105.0 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 106.636 -1.616 . . . . 74.33 106.636 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.568 ' HG2' HG22 ' A' ' 40' ' ' VAL . 68.2 mtm180 -103.54 127.53 50.93 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.828 -0.805 . . . . 71.24 108.828 178.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -139.45 145.98 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 123.074 0.55 . . . . 44.25 109.635 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG2' ' HB3' ' A' ' 38' ' ' GLU . 68.5 mtp85 -128.14 142.94 51.04 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.215 0.606 . . . . 72.35 110.096 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 m120 51.89 77.26 0.15 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 124.9 1.375 . . . . 62.14 111.824 169.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.558 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.8 pp -140.48 145.59 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.475 0.71 . . . . 74.43 111.056 -173.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -93.79 -175.63 3.8 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.932 0.893 . . . . 55.1 111.442 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 60.0 pttt -52.33 -48.65 65.34 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 124.259 1.024 . . . . 71.51 112.369 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.54 -25.11 62.09 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.391 0.676 . . . . 64.22 111.427 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -83.54 -41.34 18.05 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.525 0.73 . . . . 73.14 111.119 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.558 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.6 pp -69.83 -20.47 63.43 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.404 -0.362 . . . . 62.44 110.786 176.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 11.2 mmmm -55.3 -29.81 58.97 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.325 0.65 . . . . 75.31 112.14 170.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -64.53 -32.82 74.63 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 123.363 0.414 . . . . 51.15 111.288 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' HB3' HG21 ' A' ' 41' ' ' VAL . 62.9 mt -63.62 -37.56 87.8 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.545 0.738 . . . . 74.11 110.03 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 26' ' ' ARG . 6.3 mp -65.71 -46.74 77.83 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 114.773 -1.103 . . . . 73.44 109.834 176.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 43.8 mt-10 -70.88 -23.11 62.24 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.463 -0.79 . . . . 60.12 112.005 -177.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -63.86 -41.57 97.76 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.42 0.688 . . . . 53.21 110.898 173.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.7 mt -65.5 -42.39 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 115.112 -0.949 . . . . 71.51 109.546 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 2.3 ptp180 -61.01 -38.8 87.35 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 123.781 0.675 . . . . 62.25 110.474 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 44.1 mt-10 -59.03 -35.5 73.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.409 0.684 . . . . 62.34 110.776 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HA ' ' HG2' ' A' ' 75' ' ' ARG . 17.8 mmtp -83.91 -44.45 14.24 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 116.032 -0.531 . . . . 74.14 110.926 -172.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.633 HD11 HG23 ' A' ' 18' ' ' THR . 31.8 pt -70.33 -27.17 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 116.774 -0.194 . . . . 60.33 110.893 -178.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.29 -30.14 19.86 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.224 0.61 . . . . 74.22 112.156 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 72' ' ' LYS . 3.1 ptm180 -68.36 -35.49 77.81 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 118.871 0.76 . . . . 73.23 109.738 174.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 78' ' ' SER . 10.0 tp10 -86.95 -75.94 0.38 Allowed 'General case' 0 C--N 1.349 0.548 0 N-CA-C 109.485 -0.561 . . . . 73.4 109.485 177.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.94 -20.55 31.11 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-O 119.61 -0.55 . . . . 53.32 112.413 -175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.472 ' H ' ' HG3' ' A' ' 76' ' ' GLU . 58.4 m -62.11 143.67 56.36 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.554 0.742 . . . . 41.52 111.436 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.2 m -76.79 -5.88 50.0 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.029 0.931 . . . . 73.04 111.213 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -78.51 77.17 5.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.966 1.306 . . . . 74.01 109.497 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.01 133.76 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 CA-C-N 115.255 -0.884 . . . . 75.23 110.597 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -128.7 124.12 34.85 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.729 1.612 . . . . 71.42 107.781 172.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.96 120.48 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 108.85 -0.796 . . . . 45.15 108.85 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -103.02 146.66 28.02 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 109.076 -0.712 . . . . 74.02 109.076 177.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.44 142.49 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 106.963 -1.495 . . . . 61.21 106.963 169.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.604 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 22.3 m-70 -136.02 131.05 34.46 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 107.95 -1.13 . . . . 74.41 107.95 -177.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 p -159.21 136.28 9.66 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 109.595 -0.52 . . . . 44.53 109.595 171.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.74 -88.38 0.29 Allowed Glycine 0 C--N 1.351 1.383 0 O-C-N 123.714 0.634 . . . . 53.54 112.272 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.79 9.27 1.18 Allowed Glycine 0 N--CA 1.47 0.965 0 N-CA-C 111.72 -0.552 . . . . 71.03 111.72 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -98.96 146.35 26.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.147 0.979 . . . . 74.4 109.38 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.5 m -138.18 122.5 18.23 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.635 0.774 . . . . 72.42 110.109 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -103.36 145.54 29.83 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.597 1.159 . . . . 72.5 108.884 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.3 p -133.0 139.69 47.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.23 0.612 . . . . 72.31 109.875 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -121.99 104.64 9.66 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.098 -1.445 . . . . 74.34 107.098 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -101.94 130.72 48.52 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.0 0.52 . . . . 75.43 110.166 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -74.54 129.92 38.62 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.351 -0.611 . . . . 72.22 109.351 168.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.979 0 C-N-CA 124.287 1.035 . . . . 74.35 110.408 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.484 1.275 0 N-CA-C 109.087 -0.708 . . . . 74.43 109.087 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.08 -150.68 19.81 Favored Glycine 0 C--N 1.343 0.925 0 N-CA-C 111.481 -0.647 . . . . 43.41 111.481 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -69.55 148.85 48.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.289 -0.634 . . . . 74.33 109.289 171.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -131.03 117.64 19.45 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.653 -0.869 . . . . 71.52 108.653 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -63.3 103.68 0.52 Allowed 'General case' 0 C--O 1.238 0.465 0 N-CA-C 108.262 -1.014 . . . . 62.14 108.262 173.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -82.87 153.02 25.33 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.572 -0.74 . . . . 72.42 110.532 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -72.65 92.93 1.57 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.002 -0.999 . . . . 72.43 109.134 176.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -67.31 143.97 56.13 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.701 -0.682 . . . . 74.04 109.712 170.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -72.28 152.54 42.07 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.741 -0.466 . . . . 74.12 109.741 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -127.66 103.27 7.22 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.75 -0.833 . . . . 75.1 108.75 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.6 mt -74.02 178.88 4.68 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.011 -0.737 . . . . 72.13 109.011 168.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -59.69 -58.38 8.81 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 122.625 0.37 . . . . 73.43 110.711 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 54.17 26.33 6.56 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.785 0.834 . . . . 75.54 110.978 -173.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -71.52 95.09 1.36 Allowed 'General case' 0 C--N 1.352 0.676 0 CA-C-N 115.655 -0.702 . . . . 72.43 110.636 -168.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.7 m -144.39 173.23 11.96 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 124.978 1.311 . . . . 74.24 108.94 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -25.98 64.15 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.672 -0.695 . . . . 71.45 111.024 174.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.4 ttt 56.06 32.65 20.4 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.093 1.357 . . . . 72.13 111.331 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 m -73.54 106.98 5.56 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.973 -0.558 . . . . 74.22 110.445 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -72.83 139.05 46.72 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.634 -0.712 . . . . 63.22 109.433 176.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.12 22.23 0.99 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.46 0.704 . . . . 72.25 111.881 -174.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.72 -25.21 66.27 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 123.285 0.634 . . . . 71.22 110.528 166.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 70' ' ' ARG . 93.6 mt -49.52 -42.44 43.73 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.059 0.943 . . . . 71.52 111.051 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 11.2 tp10 -56.47 -44.25 80.41 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.143 0.902 . . . . 71.51 111.001 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -67.17 -33.68 75.92 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 114.922 -1.035 . . . . 71.43 111.302 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.03 -30.52 55.76 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.618 -0.512 . . . . 61.01 109.618 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.577 ' HB2' HD11 ' A' ' 66' ' ' LEU . 31.5 ttt180 -58.12 -53.61 56.26 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.246 1.018 . . . . 71.13 109.506 174.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 74.8 mm-40 -52.97 -43.73 66.62 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.777 1.298 . . . . 73.14 110.914 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -61.56 -49.29 77.26 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.511 -1.222 . . . . 64.2 111.04 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -63.27 -39.31 94.24 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.171 0.588 . . . . 71.13 111.797 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.84 -32.73 72.62 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.431 0.693 . . . . 51.2 111.141 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.81 -45.6 60.98 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.972 0.509 . . . . 71.21 110.782 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.5 mt -71.14 -20.33 62.32 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.631 0.772 . . . . 62.31 111.163 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -60.55 -19.71 58.12 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.499 1.12 . . . . 71.44 112.503 176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.79 -32.4 72.68 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.261 0.624 . . . . 64.3 111.774 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -23.61 10.63 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.754 0.422 . . . . 73.04 110.359 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.66 41.12 99.86 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 123.721 0.638 . . . . 32.03 112.621 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 p -69.54 165.63 20.62 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.232 0.613 . . . . 75.44 110.989 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.11 98.21 0.29 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.938 -1.028 . . . . 73.33 110.331 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 63.7 mt -91.13 106.17 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.167 -1.42 . . . . 73.52 107.167 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 50.0 t -103.03 102.45 13.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 114.491 -1.231 . . . . 41.12 108.121 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 69' ' ' ILE . 56.5 t -94.68 109.83 22.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 107.66 -1.237 . . . . 73.23 107.66 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -110.41 106.9 16.41 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.381 -0.97 . . . . 74.31 108.381 -173.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.604 HG11 ' HG3' ' A' ' 72' ' ' LYS . 90.1 t -102.27 117.91 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.517 1.127 . . . . 62.21 109.535 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 26.9 m-70 -118.13 116.23 26.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.454 0.702 . . . . 75.04 109.21 176.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.492 HG22 ' ND2' ' A' ' 46' ' ' ASN . 23.6 mt -126.98 122.55 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.257 0.623 . . . . 74.21 110.027 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' HG22 ' A' ' 45' ' ' ILE . 38.4 m-80 63.95 -74.52 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.759 1.623 . . . . 64.31 110.679 -171.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.71 -3.9 0.18 Allowed Glycine 0 N--CA 1.473 1.136 0 CA-C-N 115.763 -0.653 . . . . 52.22 112.772 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -89.24 143.01 27.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.834 0.854 . . . . 72.51 109.512 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -116.62 153.44 32.27 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.859 0.863 . . . . 71.12 109.818 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -149.17 115.09 5.7 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.961 -0.563 . . . . 75.44 109.627 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -99.25 125.88 44.95 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.786 0.835 . . . . 74.33 109.284 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 mt -126.39 107.23 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 107.435 -1.321 . . . . 73.1 107.435 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.5 mtm105 -112.76 106.84 15.29 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.312 0.645 . . . . 74.51 110.176 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.476 HG11 HD21 ' A' ' 65' ' ' LEU . 30.9 m -118.72 144.51 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.748 1.219 . . . . 64.22 108.628 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -115.76 -92.15 0.52 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.161 0.437 . . . . 71.41 110.108 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -97.2 46.36 1.04 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.668 0.787 . . . . 72.51 109.469 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -59.44 165.24 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 115.149 -0.932 . . . . 74.31 111.52 172.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -78.75 164.54 24.47 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 120.972 0.415 . . . . 63.21 110.718 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.05 62.29 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.276 0.63 . . . . 71.32 111.992 -174.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -88.65 -25.61 22.31 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.626 0.77 . . . . 70.31 110.665 170.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -69.49 -28.7 66.29 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.067 0.547 . . . . 54.24 111.097 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.67 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.6 pp -69.0 -20.15 64.15 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 112.029 0.381 . . . . 74.43 112.029 176.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -66.48 -24.43 66.42 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.849 0.46 . . . . 71.0 110.568 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 13.5 mmmm -67.38 -24.89 65.74 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 123.715 0.806 . . . . 71.15 110.882 175.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.67 -46.17 73.12 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.2 -0.667 . . . . 71.25 109.2 174.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 26' ' ' ARG . 45.2 mt -61.44 -37.85 85.05 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.215 -0.902 . . . . 52.11 110.035 176.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.57 -38.25 90.34 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.916 1.286 . . . . 53.12 111.423 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 4.7 mmp_? -69.87 -49.1 55.63 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 116.303 -0.408 . . . . 73.21 110.093 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.507 HD11 HG11 ' A' ' 41' ' ' VAL . 79.8 mt -61.55 -43.62 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.477 0.711 . . . . 75.55 110.75 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HB3' HD11 ' A' ' 22' ' ' LEU . 13.4 ptm180 -64.63 -39.52 93.85 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 116.19 -0.459 . . . . 75.21 111.278 -176.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 2.3 pp20? -70.54 -21.25 62.74 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-O 119.344 -0.36 . . . . 74.14 110.547 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.604 ' HG3' HG11 ' A' ' 43' ' ' VAL . 70.3 mmtt -68.69 -58.49 4.16 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 107.611 -1.255 . . . . 74.24 107.611 175.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.15 -23.72 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 115.039 -0.982 . . . . 71.24 112.222 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -80.25 -49.75 11.16 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.856 0.862 . . . . 71.43 111.477 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 24.4 ptt180 -63.85 -37.79 88.69 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 120.992 0.425 . . . . 71.11 110.099 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -76.52 -48.55 19.07 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 123.841 0.857 . . . . 73.35 109.733 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.73 27.28 70.83 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.406 -0.816 . . . . 75.21 112.21 -170.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.3 m -105.53 131.41 52.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.088 0.955 . . . . 74.12 110.039 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 m -77.75 -9.23 58.9 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.183 0.993 . . . . 65.5 111.031 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -79.94 79.92 6.41 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.514 -0.921 . . . . 74.2 108.514 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.7 141.51 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-O 121.454 0.645 . . . . 61.21 111.092 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 10.0 tp10 -135.41 137.6 42.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.382 1.473 . . . . 44.22 108.33 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 89.5 t -138.61 108.93 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 108.071 -1.085 . . . . 54.11 108.071 173.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.1 108.52 19.91 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.735 -0.839 . . . . 75.34 108.735 173.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 91' ' ' THR . 96.9 t -94.0 111.09 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 N-CA-C 108.583 -0.895 . . . . 61.32 108.583 176.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 14.8 m-70 -100.39 144.7 29.08 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.208 1.003 . . . . 55.33 108.778 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.7 p -161.44 105.46 1.28 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.935 0.494 . . . . 73.25 110.463 172.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.54 16.04 58.11 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 116.005 1.162 . . . . 60.05 116.005 167.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.28 -12.61 6.03 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 117.42 0.61 . . . . 63.02 113.758 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -110.51 147.45 34.12 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 117.749 0.774 . . . . 63.32 111.252 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 96.7 m -139.44 129.61 25.24 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.65 0.78 . . . . 45.51 110.726 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.1 m-90 -110.73 127.29 55.27 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.086 0.954 . . . . 64.31 109.592 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 m -95.62 119.83 34.81 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.043 0.937 . . . . 63.13 109.295 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.563 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 79.0 m-85 -118.56 117.75 29.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.632 0.773 . . . . 74.43 109.193 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -125.39 160.0 30.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.074 0.95 . . . . 75.14 109.611 -175.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.59 145.62 51.51 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 109.605 -0.517 . . . . 42.51 109.605 169.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HZ3' ' HB2' ' A' ' 97' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.949 0 N-CA-C 108.082 -1.081 . . . . 71.51 108.082 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.922 -0.399 . . . . 73.02 109.922 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.19 64.47 0.44 Allowed Glycine 0 C--N 1.343 0.94 0 N-CA-C 110.916 -0.874 . . . . 74.14 110.916 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -56.04 -47.64 77.49 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.754 1.222 . . . . 74.23 112.019 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -127.61 48.39 2.25 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.103 0.954 . . . . 75.44 108.685 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -72.76 -57.34 4.17 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.704 -1.135 . . . . 62.53 109.251 173.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -85.81 146.53 26.72 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.546 -0.752 . . . . 71.14 110.535 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -101.92 105.45 16.25 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.052 -1.092 . . . . 75.1 108.052 172.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -60.87 -32.47 71.9 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.719 0.807 . . . . 72.23 110.086 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -80.65 132.58 35.61 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.694 -1.139 . . . . 70.12 110.096 174.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -134.72 150.94 50.65 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.989 0.516 . . . . 73.24 109.723 176.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.01 -39.46 29.92 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.37 0.668 . . . . 65.1 111.863 -172.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -118.18 112.59 20.35 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.794 0.838 . . . . 73.35 109.176 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -74.33 -52.47 12.13 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 122.101 -0.375 . . . . 70.34 110.348 177.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -156.7 152.71 27.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.744 0.818 . . . . 73.3 109.571 -174.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -132.35 -165.17 1.56 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.148 0.979 . . . . 73.11 108.558 173.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -68.03 -38.51 82.63 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.55 -0.537 . . . . 63.32 109.55 167.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.569 ' HG2' ' HB2' ' A' ' 20' ' ' GLU . 45.8 ttm 57.07 39.19 29.34 Favored 'General case' 0 C--N 1.364 1.209 0 O-C-N 124.527 1.142 . . . . 74.25 109.239 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 9.7 m -52.78 -57.09 11.3 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 114.292 -1.322 . . . . 71.14 114.077 -157.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.8 -31.54 72.57 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.727 0.411 . . . . 52.31 111.551 -173.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.569 ' HB2' ' HG2' ' A' ' 17' ' ' MET . 33.8 mm-40 -72.62 -45.23 60.08 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.118 0.567 . . . . 73.43 110.747 176.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' HD13 ' A' ' 25' ' ' LEU . 58.8 tp -55.15 -54.42 43.47 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 124.522 1.129 . . . . 73.22 109.7 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' A' ' 70' ' ' ARG . 75.3 mt -65.25 -33.93 77.16 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.492 -0.776 . . . . 65.4 111.484 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 35.4 tt0 -57.63 -44.04 85.26 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.486 0.714 . . . . 75.41 110.331 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -60.24 -33.93 72.98 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 124.132 0.895 . . . . 72.51 110.816 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 21' ' ' LEU . 9.1 mp -80.83 -32.72 35.03 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.538 -0.755 . . . . 74.4 110.001 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -65.38 -47.33 76.73 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 123.572 0.749 . . . . 63.14 109.529 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 80.8 mm-40 -54.62 -40.8 69.29 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.639 1.212 . . . . 71.01 110.351 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.7 tp -71.01 -42.01 70.13 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 115.202 -0.908 . . . . 74.33 111.272 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.531 ' HB2' HD13 ' A' ' 62' ' ' LEU . 22.3 m-85 -66.77 -35.64 80.56 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.717 0.407 . . . . 71.01 110.227 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.6 -40.17 92.39 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.918 0.887 . . . . 70.12 110.092 174.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 11.1 tp10 -60.99 -45.36 95.11 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.977 0.911 . . . . 74.53 110.385 177.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 35' ' ' ARG . 65.1 mt -80.0 -23.71 41.36 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.137 0.575 . . . . 62.51 111.455 -176.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -57.31 -40.49 77.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.393 1.077 . . . . 61.34 111.656 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 9.5 pt-20 -65.98 -23.21 66.54 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.543 0.572 . . . . 74.25 112.543 -175.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -101.07 -17.48 16.68 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 122.12 -0.363 . . . . 61.31 110.775 175.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.51 30.94 72.99 Favored Glycine 0 C--N 1.352 1.442 0 O-C-N 123.863 0.727 . . . . 12.25 114.253 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 t -80.83 149.86 29.38 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.352 0.661 . . . . 65.13 109.609 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 7.4 pt-20 -68.61 117.05 9.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.648 0.737 . . . . 73.41 111.685 -174.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.561 HD12 HD11 ' A' ' 57' ' ' ILE . 62.1 mt -97.53 130.44 46.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.413 1.485 . . . . 63.02 109.86 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 38.8 t -105.52 109.95 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.606 -0.886 . . . . 74.43 108.606 174.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.3 t -92.48 110.56 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.824 -1.176 . . . . 42.24 107.824 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -118.44 104.87 11.11 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.586 -0.524 . . . . 71.04 109.586 -172.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 27.6 t -95.15 103.18 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.194 0.998 . . . . 43.2 109.431 -175.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -99.18 111.52 23.89 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.762 1.225 . . . . 72.52 109.758 176.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.469 HG21 ' HG3' ' A' ' 76' ' ' GLU . 49.1 mt -132.09 121.25 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 109.307 -0.627 . . . . 64.24 109.307 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.8 m120 58.21 37.01 26.18 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.808 1.243 . . . . 72.42 112.9 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.96 -7.86 79.93 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 116.14 -0.482 . . . . 70.1 113.754 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -90.5 147.82 23.14 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.386 0.675 . . . . 61.42 110.528 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -107.2 144.67 33.63 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.045 1.338 . . . . 63.11 110.093 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.527 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 33.9 t70 -138.68 110.88 7.36 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.569 -0.9 . . . . 55.3 108.569 171.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -102.44 122.64 44.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.257 0.623 . . . . 54.42 109.857 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.81 107.52 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 107.84 -1.17 . . . . 63.54 107.84 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' HG2' HG13 ' A' ' 40' ' ' VAL . 27.8 mtp-105 -102.26 142.25 33.78 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.696 -0.483 . . . . 50.51 109.696 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.35 151.75 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.095 1.358 . . . . 54.34 108.442 174.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 42.8 mtp180 -105.95 -67.57 0.92 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.545 0.338 . . . . 65.11 110.382 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -117.24 103.59 10.32 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.792 0.837 . . . . 74.54 109.453 176.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 39' ' ' ILE . 1.1 pp -117.29 119.0 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.979 0.912 . . . . 71.33 110.162 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.6 m -65.6 177.57 1.18 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.958 0.903 . . . . 61.24 112.372 -174.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -37.18 78.79 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.514 0.725 . . . . 72.51 112.909 -168.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.611 ' HA ' ' HE2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -89.92 -31.88 17.09 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.952 0.501 . . . . 73.23 110.691 175.348 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HG3' HG22 ' A' ' 57' ' ' ILE . 17.0 tp10 -68.03 -28.53 67.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.732 0.813 . . . . 62.45 111.641 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.4 pp -70.73 -27.22 63.8 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.91 0.484 . . . . 75.03 110.558 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.611 ' HE2' ' HA ' ' A' ' 60' ' ' GLU . 45.3 mtmt -69.49 -20.54 63.73 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 115.416 -0.811 . . . . 72.04 110.525 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 31.4 mmmt -70.48 -21.64 62.75 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.083 0.553 . . . . 74.23 110.412 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.1 mm? -69.83 -54.13 14.99 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.093 0.557 . . . . 73.35 110.416 176.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' A' ' 69' ' ' ILE . 3.7 pp -69.37 -19.7 63.83 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.704 -0.68 . . . . 72.33 111.384 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 25.9 tt0 -69.49 -44.17 71.64 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.454 0.702 . . . . 71.31 110.013 171.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 6.2 mmp_? -59.65 -37.22 78.14 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.497 0.319 . . . . 71.55 110.899 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 66' ' ' LEU . 78.5 mt -64.34 -46.8 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.121 0.969 . . . . 54.32 110.697 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.644 ' HB3' HD11 ' A' ' 22' ' ' LEU . 29.2 ptt180 -63.17 -33.18 74.91 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 123.618 0.574 . . . . 75.21 110.298 -177.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 32.6 mm-40 -59.16 -40.72 86.46 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 123.863 0.727 . . . . 74.1 110.046 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 22.8 mmtp -74.04 -49.19 25.3 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 123.827 0.704 . . . . 63.13 109.592 -174.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.2 pp -64.39 -32.55 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.465 0.478 . . . . 74.12 111.331 -173.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -78.29 -38.68 41.94 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.629 0.772 . . . . 74.52 110.935 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -63.37 -42.07 98.84 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.568 0.747 . . . . 72.24 111.11 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 27.5 mm-40 -69.85 -45.3 68.05 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.564 -0.743 . . . . 74.21 109.961 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.92 -24.74 6.47 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 115.623 -0.717 . . . . 73.45 112.664 -175.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 m -73.48 135.25 44.06 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 124.286 1.035 . . . . 61.22 110.893 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m -74.43 -20.08 60.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.109 0.964 . . . . 71.13 111.763 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -72.99 84.71 1.27 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.615 0.766 . . . . 72.12 109.794 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.5 m -127.91 145.0 35.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 123.916 0.886 . . . . 72.45 109.884 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HG3' ' HB3' ' A' ' 95' ' ' ASN . 32.2 tt0 -142.97 108.01 4.94 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.886 0.874 . . . . 63.21 109.846 -177.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.39 114.3 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.18 0.592 . . . . 63.12 109.461 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -102.37 106.66 17.47 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 107.193 -1.41 . . . . 74.34 107.193 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.37 107.81 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 108.893 -0.78 . . . . 74.43 108.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.5 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 46.4 m-70 -96.52 144.92 26.16 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.524 -1.287 . . . . 74.1 107.524 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -161.06 108.95 1.52 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.672 -0.862 . . . . 72.53 108.672 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.6 -94.31 0.34 Allowed Glycine 0 C--N 1.351 1.407 0 N-CA-C 111.675 -0.57 . . . . 62.25 111.675 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.12 3.1 4.81 Favored Glycine 0 N--CA 1.474 1.183 0 C-N-CA 123.496 0.569 . . . . 64.55 112.133 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -94.08 145.89 24.35 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.854 0.861 . . . . 73.3 110.331 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.2 m -141.59 129.45 21.8 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.118 0.567 . . . . 75.55 110.449 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 22.4 m-90 -111.82 115.64 29.37 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 124.435 1.094 . . . . 75.31 108.494 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.1 p -97.91 102.28 13.99 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.889 0.476 . . . . 62.42 109.722 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -91.99 107.06 18.94 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 108.002 -1.11 . . . . 74.25 108.002 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.499 ' HB3' ' HG3' ' A' ' 82' ' ' GLU . 3.8 p30 -128.63 122.18 30.32 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 109.017 -0.734 . . . . 75.13 109.017 -177.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -73.99 156.27 37.74 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.004 0.521 . . . . 64.03 110.493 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt . . . . . 0 CA--C 1.548 0.895 0 C-N-CA 124.29 1.036 . . . . 73.43 110.84 -173.006 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 110.207 -0.294 . . . . 62.22 110.207 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.63 -57.67 4.12 Favored Glycine 0 C--N 1.349 1.272 0 CA-C-N 116.482 -0.326 . . . . 75.31 113.539 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -89.54 50.49 1.92 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.896 0.879 . . . . 75.13 111.238 -170.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -64.88 -20.89 66.67 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.435 0.294 . . . . 73.21 111.765 -177.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -73.21 121.46 20.35 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.007 -1.108 . . . . 72.22 108.007 169.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -131.57 137.71 48.56 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.309 0.644 . . . . 73.31 110.635 -170.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -70.68 145.11 50.78 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.157 0.583 . . . . 71.24 110.059 176.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -137.59 126.47 24.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.385 0.674 . . . . 74.31 109.596 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.69 -58.07 4.03 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.176 0.99 . . . . 74.42 109.75 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -161.03 121.87 2.84 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 124.336 1.054 . . . . 73.22 108.818 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -83.43 90.53 7.2 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.026 -1.101 . . . . 72.25 108.026 173.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -143.91 140.96 30.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.467 -0.788 . . . . 73.21 109.401 174.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -152.31 162.25 41.43 Favored 'General case' 0 C--O 1.246 0.888 0 C-N-CA 124.097 0.959 . . . . 72.51 109.234 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -113.26 122.57 47.86 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 123.703 0.801 . . . . 64.41 109.148 173.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.442 ' HB3' ' HB3' ' A' ' 96' ' ' GLU . 31.7 t -70.43 111.83 6.27 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 107.944 -1.132 . . . . 75.3 107.944 174.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -124.82 -5.14 7.52 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.019 -0.991 . . . . 72.55 110.504 -167.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.3 ttt -154.3 153.74 32.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.942 0.897 . . . . 74.04 109.568 -171.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.593 HG21 ' HB2' ' A' ' 70' ' ' ARG . 46.2 p -63.91 97.18 0.16 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.051 0.94 . . . . 73.02 111.366 176.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -144.09 99.25 3.36 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.222 -1.029 . . . . 70.44 108.222 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 65.31 15.08 9.83 Favored 'General case' 0 CA--C 1.57 1.721 0 C-N-CA 124.582 1.153 . . . . 42.22 110.488 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -91.0 -51.69 5.22 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.597 1.159 . . . . 50.25 109.233 -172.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 70' ' ' ARG . 87.4 mt -61.34 -33.37 73.51 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.568 0.747 . . . . 70.42 111.919 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 36.1 tp10 -49.94 -45.44 51.22 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 124.796 1.31 . . . . 74.54 110.799 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HB2' HD12 ' A' ' 25' ' ' LEU . 8.6 mmm180 -57.93 -37.28 73.81 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.643 1.215 . . . . 75.52 111.652 -177.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 24' ' ' ARG . 6.2 mp -85.41 -36.29 20.76 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.558 -0.746 . . . . 74.12 109.701 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HB2' HD13 ' A' ' 66' ' ' LEU . 8.4 tmm_? -68.41 -37.97 80.82 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.707 0.803 . . . . 60.33 110.393 -175.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 88.7 mm-40 -61.94 -36.47 81.48 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.875 0.734 . . . . 75.32 110.656 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.9 tp -69.5 -42.34 74.87 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.266 0.626 . . . . 70.1 110.626 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -63.6 -39.06 93.41 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.78 0.432 . . . . 73.24 111.171 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.34 -38.51 87.82 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.482 0.713 . . . . 75.2 110.51 174.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -67.04 -33.71 76.12 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.158 -0.928 . . . . 70.2 110.798 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 86.4 mt -87.99 -17.88 30.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.539 0.736 . . . . 72.41 110.758 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -58.79 -35.01 72.14 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.053 0.941 . . . . 73.23 112.213 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.93 -24.4 62.44 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.415 0.524 . . . . 62.41 112.415 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 ptm180 -97.79 -27.51 14.28 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.215 0.206 . . . . 72.42 110.913 -178.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.11 83.07 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 113.936 0.334 . . . . 52.43 113.936 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -77.12 169.81 17.66 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.004 0.922 . . . . 74.21 110.488 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 5.9 pt-20 -71.59 100.92 2.38 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.059 0.933 . . . . 75.41 110.252 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 86' ' ' HIS . 39.5 mt -93.69 106.87 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 107.895 -1.15 . . . . 64.21 107.895 176.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 53' ' ' ARG . 47.9 t -102.3 103.54 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.062 -1.088 . . . . 74.53 108.062 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 69' ' ' ILE . 78.6 t -103.28 117.08 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.999 -0.741 . . . . 72.34 108.999 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 28.6 tt0 -127.1 114.64 18.0 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.954 0.407 . . . . 71.33 110.795 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 t -88.93 114.34 26.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.415 1.086 . . . . 64.22 109.868 -176.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -99.07 105.29 17.38 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.668 0.787 . . . . 75.43 109.453 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.608 HD12 ' HB3' ' A' ' 72' ' ' LYS . 12.3 mt -134.91 120.6 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 123.633 0.773 . . . . 61.11 109.532 177.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 54.8 23.16 4.66 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.024 1.33 . . . . 74.33 113.933 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.98 -25.25 16.97 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-O 120.115 -0.269 . . . . 65.23 112.714 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -83.26 147.16 28.15 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.252 0.621 . . . . 64.55 110.742 -175.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -126.02 112.84 16.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.875 0.87 . . . . 75.11 110.139 -175.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.566 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 25.1 t70 -89.67 107.27 18.99 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.443 -1.317 . . . . 74.21 107.443 172.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -103.07 118.07 35.98 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.243 -0.651 . . . . 61.34 109.243 -173.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.5 mt -127.82 133.77 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 N-CA-C 107.859 -1.163 . . . . 72.24 107.859 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' HG13 ' A' ' 40' ' ' VAL . 23.8 mtp180 -128.31 105.9 8.65 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.699 -0.852 . . . . 73.42 108.699 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.6 m -111.8 152.01 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.433 1.093 . . . . 74.54 108.593 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 76.5 mtt180 -127.62 -85.75 0.59 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.08 0.4 . . . . 63.5 109.942 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.418 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -89.17 83.19 6.5 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 108.225 -1.028 . . . . 75.11 108.225 177.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.559 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.6 pp -109.31 164.82 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 114.949 -1.023 . . . . 53.42 110.52 177.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.2 m -105.21 -178.36 3.63 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.871 0.868 . . . . 60.24 110.16 177.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.88 85.59 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 113.396 0.887 . . . . 72.31 113.396 -170.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.3 -28.41 25.31 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 118.08 0.4 . . . . 73.02 110.487 178.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.54 -44.1 95.18 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.888 -0.596 . . . . 75.2 111.241 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.626 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.4 pp -68.11 -23.91 64.97 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 122.504 0.322 . . . . 72.33 111.031 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HA ' HD21 ' A' ' 66' ' ' LEU . 98.2 mttt -64.32 -28.91 70.04 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 115.949 -0.569 . . . . 74.53 111.004 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -65.04 -20.75 66.64 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 123.503 0.502 . . . . 23.23 111.433 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.85 -59.5 3.25 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.9 0.48 . . . . 72.24 109.731 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.613 ' HA ' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -68.7 -19.02 64.36 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 119.136 -0.459 . . . . 55.24 111.922 178.78 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 11.9 mm-40 -64.97 -50.73 65.22 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.013 0.525 . . . . 74.44 110.457 170.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 2.0 mmp_? -58.76 -40.97 85.46 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.756 0.422 . . . . 73.41 110.867 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 66' ' ' LEU . 70.6 mt -63.13 -51.16 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.52 1.128 . . . . 72.24 111.066 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.593 ' HB2' HG21 ' A' ' 18' ' ' THR . 4.1 ppt_? -66.22 -29.69 70.0 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 115.843 -0.617 . . . . 72.4 110.901 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 40.9 mt-10 -62.83 -40.79 98.51 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.251 0.97 . . . . 73.55 109.194 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.608 ' HB3' HD12 ' A' ' 45' ' ' ILE . 44.8 mmtm -65.88 -53.45 39.45 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.084 0.865 . . . . 73.31 109.785 -175.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.1 pt -73.82 -25.75 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 N-CA-C 112.913 0.709 . . . . 62.11 112.913 -173.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.17 -39.36 41.11 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 117.836 0.289 . . . . 61.43 110.482 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -79.52 -36.85 37.84 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 120.556 0.217 . . . . 74.4 110.429 -176.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -71.41 -57.63 4.26 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.59 0.756 . . . . 65.02 109.758 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.82 -48.83 3.74 Favored Glycine 0 C--N 1.339 0.745 0 CA-C-N 115.822 -0.626 . . . . 52.51 111.989 -176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.1 m -52.44 118.33 3.5 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.966 0.906 . . . . 74.21 111.381 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.1 m -72.98 77.75 1.18 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.001 0.92 . . . . 72.14 110.579 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -153.53 85.39 1.19 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.523 -1.288 . . . . 73.32 107.523 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.38 129.34 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.659 -0.7 . . . . 75.21 110.263 -175.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -131.02 106.14 8.2 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.325 -0.991 . . . . 71.12 108.325 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.4 t -98.54 111.89 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 108.231 -1.025 . . . . 75.34 108.231 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.419 HD22 ' N ' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -100.25 106.25 17.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.454 -1.313 . . . . 73.03 107.454 -176.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 66.9 t -97.49 111.98 28.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 N-CA-C 107.773 -1.195 . . . . 62.03 107.773 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.506 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 27.2 m-70 -106.27 142.64 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.92 -1.141 . . . . 62.23 107.92 -177.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p -159.95 103.05 1.48 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.423 -0.584 . . . . 62.45 109.423 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 51.99 58.02 11.52 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 123.697 0.623 . . . . 72.1 113.645 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.25 -30.61 5.11 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-O 119.75 -0.472 . . . . 71.45 114.035 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -84.79 130.36 34.69 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.572 0.749 . . . . 54.41 110.69 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.1 m -134.43 128.02 32.69 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 118.421 0.555 . . . . 75.35 111.431 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -112.28 119.1 37.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.832 1.253 . . . . 75.15 108.928 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.3 p -95.58 102.57 14.39 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.47 -0.567 . . . . 72.13 109.47 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.5 130.39 35.84 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.159 0.984 . . . . 75.43 109.596 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -140.73 141.6 34.88 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 123.029 0.532 . . . . 74.44 110.214 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 15' ' ' SER . 40.0 mt-10 -76.71 112.55 13.4 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.517 -0.765 . . . . 72.24 109.291 172.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.125 0 N-CA-C 107.918 -1.141 . . . . 71.23 107.918 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.455 -0.572 . . . . 73.32 109.455 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.23 141.85 5.94 Favored Glycine 0 C--N 1.339 0.737 0 CA-C-N 115.443 -0.799 . . . . 74.32 111.161 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -141.29 121.01 13.43 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.44 0.696 . . . . 74.12 109.441 -177.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -136.27 99.76 4.2 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.109 -1.071 . . . . 74.32 108.109 174.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -93.35 -177.69 4.51 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.387 0.675 . . . . 54.15 109.683 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.96 147.45 43.04 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.182 0.515 . . . . 62.24 110.925 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -88.12 3.87 47.54 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.562 1.145 . . . . 73.34 111.153 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 55.32 25.09 7.12 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.006 1.722 . . . . 73.05 111.737 -170.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.95 -23.84 67.34 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 115.226 -0.897 . . . . 74.21 109.878 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -47.01 -39.85 13.45 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.475 1.51 . . . . 70.51 111.244 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.4 tp 56.3 58.34 4.34 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.726 1.266 . . . . 72.04 109.815 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -73.22 97.81 2.5 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.46 -1.246 . . . . 72.13 109.093 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -96.04 46.14 1.08 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.303 -0.999 . . . . 70.15 108.303 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -83.53 76.63 9.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.22 -0.9 . . . . 64.2 108.705 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.3 m -145.26 96.23 2.8 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 113.962 -1.472 . . . . 61.01 108.824 -173.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -95.59 -32.32 12.87 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.065 -1.087 . . . . 61.51 108.065 173.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.419 ' SD ' HD12 ' A' ' 22' ' ' LEU . 13.1 tmm? 62.57 90.38 0.08 Allowed 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.693 1.597 . . . . 71.25 110.316 174.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -56.5 -25.49 51.51 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.293 1.037 . . . . 75.2 113.002 -171.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.4 t70 75.65 -65.71 0.31 Allowed 'General case' 0 C--N 1.359 0.987 0 C-N-CA 125.307 1.443 . . . . 65.15 112.586 169.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.63 -68.71 0.16 Allowed 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.155 1.382 . . . . 62.55 112.911 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.51 -18.83 62.26 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.067 0.547 . . . . 70.3 112.246 -174.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.586 ' HB3' HD13 ' A' ' 66' ' ' LEU . 55.3 mt -65.38 -44.66 86.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.142 0.577 . . . . 70.13 110.871 -178.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 35.1 tt0 -56.18 -42.2 76.74 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.77 0.669 . . . . 54.42 110.676 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -61.68 -34.79 76.36 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.202 -0.908 . . . . 75.34 110.909 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.5 mt -75.59 -42.05 53.0 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.308 0.643 . . . . 75.55 109.447 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -55.54 -44.53 76.84 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 114.885 -1.052 . . . . 72.12 111.229 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 25.1 mm-40 -59.42 -39.06 82.28 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.961 0.788 . . . . 74.33 111.57 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.65 -44.75 69.94 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.265 0.353 . . . . 71.2 110.781 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.575 ' HB2' HD13 ' A' ' 62' ' ' LEU . 19.4 m-85 -63.69 -36.54 84.2 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.306 -0.406 . . . . 75.35 110.786 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -72.14 -28.75 63.46 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.501 0.72 . . . . 53.41 110.653 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -64.28 -36.86 85.46 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.227 0.611 . . . . 70.44 109.889 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD21 ' CH2' ' A' ' 92' ' ' TRP . 69.9 mt -77.54 -29.91 52.54 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.282 1.033 . . . . 64.12 111.701 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -56.35 -20.48 19.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.676 1.19 . . . . 61.31 112.947 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.36 -40.22 64.79 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.271 0.628 . . . . 75.33 112.056 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 37' ' ' THR . 3.1 ptm180 -117.97 -0.63 11.63 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.592 1.157 . . . . 61.21 110.268 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.42 -66.77 2.62 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.482 -0.781 . . . . 73.33 112.127 173.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.487 HG23 ' HG3' ' A' ' 35' ' ' ARG . 73.1 p 50.47 171.12 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.353 1.861 . . . . 51.4 114.971 -177.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 11.4 pt-20 -106.98 105.36 15.35 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.771 -1.104 . . . . 72.51 109.273 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.7 mt -94.71 110.45 23.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 116.023 -0.535 . . . . 64.13 109.564 -172.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.4 t -102.86 104.99 17.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 107.833 -1.173 . . . . 61.13 107.833 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.521 HG11 HD11 ' A' ' 69' ' ' ILE . 57.5 t -94.8 116.7 36.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 108.888 -0.782 . . . . 62.24 108.888 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 44.4 tt0 -111.09 106.94 16.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.617 0.767 . . . . 74.54 109.25 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.47 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 43.2 t -96.9 105.56 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.374 0.67 . . . . 60.3 109.543 -174.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.639 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 65.5 m170 -86.8 108.03 18.55 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.728 0.811 . . . . 72.33 109.293 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.4 mt -127.38 123.65 62.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 124.061 0.944 . . . . 73.23 109.144 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.6 m120 61.64 27.31 16.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.0 0.92 . . . . 75.34 112.22 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.26 -23.19 35.89 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 116.072 -0.513 . . . . 54.32 113.159 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -81.49 136.22 35.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.039 0.936 . . . . 64.33 111.516 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -93.54 116.01 28.52 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.367 0.603 . . . . 73.12 109.94 174.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 20.5 t70 -89.12 135.33 33.62 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 107.866 -1.161 . . . . 74.51 107.866 171.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -116.22 122.34 44.71 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.299 0.499 . . . . 71.13 110.886 -175.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -121.65 127.57 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 107.419 -1.326 . . . . 64.05 107.419 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -122.38 128.21 50.68 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 118.327 0.512 . . . . 75.4 109.934 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.9 142.77 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.007 -1.108 . . . . 74.43 108.007 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 33.8 mtp-105 -133.41 110.47 10.03 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.305 0.502 . . . . 62.14 110.913 -174.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.4 m120 61.18 87.76 0.09 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.042 1.337 . . . . 74.05 111.591 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.503 ' HB ' ' HB2' ' A' ' 61' ' ' GLU . 1.3 pp -139.9 172.01 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.104 0.961 . . . . 61.25 111.003 -173.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -86.26 175.29 8.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.991 0.917 . . . . 75.11 111.712 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 25.0 pttm -59.63 -33.78 71.94 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.403 0.681 . . . . 53.0 111.412 178.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 14.3 pt-20 -77.24 -26.13 52.27 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.041 0.536 . . . . 70.25 111.714 -177.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HB2' ' HB ' ' A' ' 57' ' ' ILE . 38.4 mm-40 -90.66 -26.48 19.58 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.663 0.616 . . . . 74.23 112.663 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 29' ' ' PHE . 4.3 pp -73.34 -20.35 60.8 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.741 -0.466 . . . . 70.31 109.741 171.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 60' ' ' GLU . 9.4 mtmp? -57.42 -34.73 69.22 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-N 115.965 -0.561 . . . . 75.42 109.714 168.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 30.9 mmtp -59.62 -23.57 63.1 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.725 0.41 . . . . 73.21 111.108 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' HG13 ' A' ' 69' ' ' ILE . 90.7 mt -70.72 -51.64 26.14 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.556 0.743 . . . . 64.14 110.823 177.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.3 pp -74.34 -19.43 60.46 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.101 0.561 . . . . 75.21 111.521 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 44.6 mt-10 -79.0 -30.93 44.55 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.634 0.773 . . . . 63.24 109.613 173.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 15.2 mmt180 -63.68 -45.65 89.11 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.748 -0.464 . . . . 54.23 109.748 167.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.521 HD11 HG11 ' A' ' 41' ' ' VAL . 78.2 mt -65.66 -35.62 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.98 0.912 . . . . 71.53 110.868 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 9.9 ptt180 -64.9 -35.67 81.88 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.585 -0.524 . . . . 63.11 109.585 -178.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 46.4 mt-10 -61.52 -32.81 72.87 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.427 0.632 . . . . 72.05 109.684 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 23.8 mmtp -76.83 -47.78 20.43 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.372 -0.831 . . . . 70.44 110.174 -174.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.25 -19.86 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 116.669 -0.241 . . . . 64.5 111.579 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -83.87 -56.56 3.63 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.269 0.627 . . . . 72.22 111.96 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -79.39 -46.51 17.45 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.642 0.377 . . . . 72.13 110.443 -171.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 1.2 mp0 -77.04 -46.97 21.91 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.047 -0.723 . . . . 72.41 109.047 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.71 30.28 65.56 Favored Glycine 0 C--N 1.352 1.437 0 O-C-N 123.612 0.57 . . . . 73.24 113.933 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.1 m -90.93 130.48 36.86 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.268 0.627 . . . . 32.34 110.187 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.0 m -71.63 -27.43 63.09 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.717 0.807 . . . . 31.24 110.657 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -81.79 74.26 8.78 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.49 1.138 . . . . 73.44 109.084 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.02 133.84 67.14 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.242 -1.345 . . . . 70.54 108.846 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.639 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 35.4 tt0 -138.83 109.47 6.61 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.636 0.774 . . . . 74.21 109.319 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.15 111.55 25.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.541 -0.911 . . . . 70.5 108.541 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 25.5 m-80 -106.45 107.5 18.54 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.236 1.014 . . . . 73.54 108.316 -176.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.4 t -94.18 114.71 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.932 -0.766 . . . . 63.44 108.932 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -107.49 140.49 40.38 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 107.693 -1.225 . . . . 63.34 107.693 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 32.5 p -159.11 103.93 1.67 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 122.957 0.503 . . . . 44.03 110.368 177.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.08 29.52 71.21 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-N 115.676 -0.693 . . . . 74.13 114.127 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.16 -27.63 11.48 Favored Glycine 0 C--N 1.345 1.062 0 C-N-CA 122.918 0.294 . . . . 54.42 113.114 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -79.82 142.72 35.03 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.124 0.57 . . . . 65.13 110.109 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.7 m -137.04 140.45 42.07 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.622 0.769 . . . . 74.22 110.893 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.511 ' CH2' HD21 ' A' ' 32' ' ' LEU . 28.0 m-90 -132.0 115.77 16.25 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.363 1.065 . . . . 74.32 108.256 173.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 p -96.03 104.22 16.15 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.611 -0.514 . . . . 74.0 109.611 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -99.86 132.59 45.12 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.485 -0.931 . . . . 72.34 108.485 175.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -141.61 158.68 43.53 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.332 0.653 . . . . 54.3 109.598 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.76 129.51 41.35 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.987 -0.746 . . . . 64.11 108.987 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.817 0 C-N-CA 123.866 0.867 . . . . 74.04 110.623 -174.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.523 0.201 . . . . 72.13 110.803 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.42 101.51 0.16 Allowed Glycine 0 C--N 1.347 1.171 0 N-CA-C 111.903 -0.479 . . . . 73.21 111.903 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -137.09 164.64 27.94 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.499 1.119 . . . . 74.13 109.458 177.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -111.96 138.84 48.05 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.935 0.894 . . . . 72.05 108.697 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -112.1 105.06 13.34 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.633 0.773 . . . . 73.3 109.159 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -113.05 94.57 4.96 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.555 0.742 . . . . 72.24 109.219 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -91.05 153.96 19.74 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 107.06 -1.459 . . . . 64.22 107.06 167.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 67.31 110.95 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.879 0.872 . . . . 74.32 108.842 -161.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.05 -28.04 68.54 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.874 0.869 . . . . 72.52 112.905 -167.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.2 t30 65.52 19.96 11.6 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 123.992 0.917 . . . . 63.12 111.362 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.5 mt -90.99 63.89 5.27 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.424 0.689 . . . . 75.12 110.138 -177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -84.71 -63.51 1.32 Allowed 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.875 -0.787 . . . . 65.32 108.875 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -100.81 -80.1 0.49 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 108.121 -1.066 . . . . 52.35 108.121 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 69.49 -30.17 0.19 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.946 1.698 . . . . 75.33 115.073 170.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.4 p -66.72 -26.15 66.87 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.239 1.016 . . . . 74.54 112.215 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -116.83 26.51 9.78 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.904 0.859 . . . . 72.22 109.498 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.425 ' HG2' ' H ' ' A' ' 19' ' ' ASP . 49.2 ttm -116.47 131.3 56.98 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 107.503 -1.295 . . . . 74.11 107.503 174.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.55 ' HA ' HD13 ' A' ' 21' ' ' LEU . 38.5 p -65.34 -18.88 65.66 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.51 0.559 . . . . 65.53 112.51 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.425 ' H ' ' HG2' ' A' ' 17' ' ' MET . 29.4 t70 -55.03 -39.57 69.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.958 0.903 . . . . 74.41 111.341 -178.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.34 -52.39 65.78 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.284 0.633 . . . . 73.32 110.07 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.55 HD13 ' HA ' ' A' ' 18' ' ' THR . 5.2 mp -61.27 -52.22 65.62 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 114.523 -1.217 . . . . 72.13 110.031 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 70' ' ' ARG . 85.4 mt -68.83 -36.4 78.14 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 113.925 -1.489 . . . . 74.23 110.963 -173.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 13.7 tm-20 -59.73 -38.13 80.82 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.853 0.861 . . . . 74.32 110.73 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -65.03 -34.44 78.44 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.399 0.68 . . . . 65.21 111.359 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.0 -34.18 57.51 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 109.078 -0.712 . . . . 74.02 109.078 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HG3' HD11 ' A' ' 66' ' ' LEU . 26.9 ttp180 -64.01 -40.75 97.06 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.997 1.319 . . . . 73.33 109.717 -174.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 24.9 mm-40 -53.34 -53.67 47.64 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.68 1.237 . . . . 65.34 109.691 176.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.32 -41.03 92.66 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 114.517 -1.22 . . . . 61.24 111.548 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 23.1 m-85 -66.84 -39.55 87.67 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.407 -0.361 . . . . 74.33 111.235 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.98 -36.1 82.4 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.944 0.898 . . . . 74.3 110.81 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 15.9 mm-40 -65.49 -54.49 27.58 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.841 0.713 . . . . 73.24 110.64 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' HB3' HG22 ' A' ' 37' ' ' THR . 85.7 mt -70.0 -25.22 63.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.531 0.732 . . . . 75.33 111.332 -176.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.464 ' NE2' ' HA ' ' A' ' 58' ' ' SER . 9.8 t-80 -55.88 -24.56 37.85 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.974 1.309 . . . . 74.22 112.405 175.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.97 -36.74 40.59 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.212 0.605 . . . . 71.44 111.567 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -20.34 10.56 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.784 0.433 . . . . 73.33 110.36 174.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.37 55.78 14.24 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.91 -0.587 . . . . 53.4 112.262 -174.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 32' ' ' LEU . 14.1 t -69.82 159.95 32.66 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.141 0.577 . . . . 32.32 110.521 177.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.59 100.66 1.48 Allowed 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 121.888 0.851 . . . . 65.31 110.654 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.67 HD12 HD11 ' A' ' 57' ' ' ILE . 44.4 mt -95.29 110.04 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 124.234 1.014 . . . . 60.13 109.442 178.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.47 103.81 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 108.005 -1.109 . . . . 63.41 108.005 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.6 t -93.9 112.28 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 107.251 -1.389 . . . . 73.43 107.251 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 42.1 tt0 -116.05 108.18 15.88 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.528 0.68 . . . . 73.25 109.902 -172.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.496 HG11 ' HG3' ' A' ' 72' ' ' LYS . 57.5 t -91.69 105.75 16.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 124.834 1.254 . . . . 74.2 109.724 -174.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.581 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 33.0 m170 -92.75 100.28 12.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.04 0.936 . . . . 75.54 109.546 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.608 HG22 ' ND2' ' A' ' 46' ' ' ASN . 18.4 mt -128.53 128.88 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 109.676 -0.49 . . . . 71.13 109.676 175.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.608 ' ND2' HG22 ' A' ' 45' ' ' ILE . 51.1 m-80 63.04 21.78 13.08 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 125.021 1.328 . . . . 73.11 111.718 -176.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.88 -17.42 56.69 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 116.502 -0.317 . . . . 72.53 112.59 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -80.33 144.64 32.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.274 1.03 . . . . 74.34 110.395 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -108.15 137.0 46.89 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 123.537 0.735 . . . . 73.3 109.996 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.447 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . 34.0 t70 -123.62 113.82 19.18 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 108.204 -1.036 . . . . 73.0 108.204 171.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.52 127.01 43.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.505 0.722 . . . . 61.22 109.182 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.6 mt -122.15 111.45 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.022 -1.103 . . . . 72.23 108.022 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -100.79 106.12 17.49 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.213 0.53 . . . . 74.51 110.122 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.85 153.89 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.939 1.296 . . . . 62.21 108.112 174.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mtp-105 -121.02 -77.6 0.59 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.205 0.526 . . . . 73.11 110.044 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -98.46 41.23 1.14 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.268 -0.878 . . . . 74.4 110.059 -164.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.67 HD11 HD12 ' A' ' 39' ' ' ILE . 1.6 pp -62.87 114.98 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 114.905 -1.043 . . . . 45.51 111.391 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.464 ' HA ' ' NE2' ' A' ' 33' ' ' HIS . 49.9 m -77.46 -173.45 2.92 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.256 -0.883 . . . . 72.34 111.919 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -53.29 -44.83 68.59 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 113.18 0.807 . . . . 71.35 113.18 -171.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.17 -29.89 21.43 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.59 0.756 . . . . 64.41 110.909 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -71.93 -30.16 65.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.334 0.654 . . . . 52.01 112.415 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.3 pp -75.51 -25.32 57.16 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.204 0.526 . . . . 53.22 109.99 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 8.5 mtpt -60.86 -25.84 66.94 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 115.07 -0.968 . . . . 62.43 111.205 171.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 31.0 mmmt -58.52 -34.62 71.16 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 123.443 0.464 . . . . 72.25 110.219 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 62' ' ' LEU . 3.5 mm? -69.22 -37.36 77.99 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.013 0.821 . . . . 74.14 110.469 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.541 HD11 ' HG3' ' A' ' 26' ' ' ARG . 43.2 mt -65.84 -40.98 92.29 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.421 -0.808 . . . . 73.11 109.772 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 12.7 mm-40 -71.47 -25.4 62.27 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.984 -1.007 . . . . 43.34 110.938 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 24.2 mmt180 -81.22 -20.24 41.51 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.373 0.669 . . . . 73.54 112.266 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.8 mt -86.29 -48.6 15.73 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 CA-C-O 121.257 0.551 . . . . 71.14 110.334 173.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HB3' HD11 ' A' ' 22' ' ' LEU . 15.0 ptm180 -61.39 -35.32 77.16 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 115.5 -0.773 . . . . 63.43 110.734 -174.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 13.0 pt-20 -62.44 -35.3 78.84 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 122.528 0.331 . . . . 73.42 110.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 45' ' ' ILE . 41.3 mmtm -69.85 -49.77 49.2 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.121 0.888 . . . . 62.21 109.977 -176.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.12 -21.61 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.993 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.08 -42.11 17.81 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.188 0.595 . . . . 61.32 112.235 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 13.6 ptm180 -72.36 -43.49 63.95 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 117.998 0.363 . . . . 72.34 111.005 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.437 ' HG2' ' HG3' ' A' ' 75' ' ' ARG . 16.0 mm-40 -81.49 -41.36 21.85 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.581 0.752 . . . . 55.5 110.694 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.07 15.32 64.97 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 115.462 -0.79 . . . . 70.21 112.674 -174.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m -87.22 135.02 33.46 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.135 0.974 . . . . 62.44 110.111 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.9 m -78.6 -7.5 57.65 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 124.238 0.962 . . . . 62.13 111.124 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 19.1 mp0 -82.31 53.39 2.27 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.44 1.496 . . . . 62.33 110.348 -176.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.447 ' HA ' HG12 ' A' ' 45' ' ' ILE . 3.0 p -106.92 128.93 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.255 0.622 . . . . 73.52 111.05 -173.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 30.4 tt0 -142.8 109.86 5.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.649 0.779 . . . . 75.24 109.522 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.72 109.44 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 108.699 -0.852 . . . . 70.24 108.699 -177.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.57 108.36 19.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.718 0.807 . . . . 73.12 108.888 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.6 104.76 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 108.509 -0.923 . . . . 73.4 108.509 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -99.48 112.89 25.02 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 107.369 -1.345 . . . . 72.11 107.369 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.569 ' HB3' ' HA ' ' A' ' 39' ' ' ILE . 34.5 p -155.56 142.03 18.64 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.452 -0.573 . . . . 75.33 109.452 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.61 -96.4 0.43 Allowed Glycine 0 C--N 1.352 1.456 0 O-C-N 124.157 0.911 . . . . 72.1 112.401 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.81 12.01 2.39 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.713 -0.555 . . . . 54.33 111.713 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -121.09 160.17 24.21 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.942 0.897 . . . . 72.44 110.874 -176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 80.4 m -132.68 114.57 14.34 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.053 0.941 . . . . 72.33 109.087 172.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 -87.95 113.2 23.37 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.268 -1.012 . . . . 62.51 108.268 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.0 m -102.71 103.81 14.08 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.236 -0.653 . . . . 71.04 109.236 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 82' ' ' GLU . 72.5 m-85 -89.55 107.0 18.83 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 107.517 -1.29 . . . . 64.33 107.517 173.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -98.25 146.76 25.31 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.944 0.898 . . . . 71.43 110.043 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -57.69 103.43 0.13 Allowed 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 121.727 0.775 . . . . 72.33 110.144 174.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.21 -0.905 . . . . 74.1 109.414 -173.124 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 tpp . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 109.687 -0.486 . . . . 63.23 109.687 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.78 85.9 0.65 Allowed Glycine 0 C--N 1.347 1.178 0 O-C-N 123.442 0.464 . . . . 64.45 113.167 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -112.19 166.14 11.53 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.18 0.592 . . . . 51.13 110.612 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -74.28 163.57 27.65 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.691 -1.14 . . . . 73.44 111.023 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -135.71 -64.1 0.64 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.897 0.879 . . . . 72.02 109.775 -172.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -148.56 147.61 29.23 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.513 1.125 . . . . 73.44 108.953 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -154.81 135.43 13.5 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.898 0.479 . . . . 73.44 110.672 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -155.64 107.17 2.57 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.829 0.852 . . . . 75.21 109.191 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.47 -44.98 96.13 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.93 0.892 . . . . 73.25 109.256 172.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -163.72 149.53 11.27 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 114.117 -1.401 . . . . 55.22 108.431 173.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 pp -79.19 162.16 25.93 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.243 -0.435 . . . . 72.12 110.326 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -87.08 80.61 8.31 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.872 -0.604 . . . . 74.53 110.037 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -77.16 -33.37 56.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.728 -0.669 . . . . 71.43 109.463 172.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -81.15 65.04 6.13 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.177 0.991 . . . . 71.21 109.668 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.0 m -147.15 129.28 15.56 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 124.102 0.961 . . . . 60.23 109.052 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -71.31 138.14 49.07 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 108.226 -1.028 . . . . 75.15 108.226 173.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.4 ttt -56.91 -30.98 64.43 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.368 0.667 . . . . 74.4 112.017 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -90.26 15.89 9.61 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 124.131 0.972 . . . . 71.31 111.524 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -116.16 143.98 44.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.535 -0.728 . . . . 71.21 110.54 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 80.38 -49.36 0.33 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 126.374 1.87 . . . . 71.11 113.387 171.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -58.93 -31.01 68.29 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.946 0.498 . . . . 62.4 111.423 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.63 -45.61 74.86 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.748 0.819 . . . . 43.42 110.099 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 21.2 tp10 -56.55 -36.21 69.02 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.586 0.754 . . . . 74.2 110.664 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -61.16 -41.35 96.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.179 0.592 . . . . 70.01 110.751 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.3 -31.64 64.15 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.889 -0.596 . . . . 71.53 110.235 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.575 ' HG3' HD11 ' A' ' 62' ' ' LEU . 27.2 ttt180 -57.49 -46.81 83.31 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.595 0.559 . . . . 64.31 110.389 173.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.3 mm-40 -57.73 -30.87 65.9 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.751 0.657 . . . . 63.52 111.314 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 31' ' ' GLU . 53.1 tp -77.4 -40.59 43.14 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.884 -0.598 . . . . 54.44 110.902 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' A' ' 62' ' ' LEU . 18.4 m-85 -67.3 -25.85 66.24 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.245 0.218 . . . . 55.21 110.754 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 33' ' ' HIS . 49.2 mt-10 -80.9 -37.34 29.84 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.976 0.91 . . . . 74.2 110.242 175.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 18.2 tp10 -54.61 -34.36 61.93 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.414 1.086 . . . . 31.55 110.611 170.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD21 ' CH2' ' A' ' 92' ' ' TRP . 48.2 mt -89.88 -32.05 17.05 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.63 0.772 . . . . 72.14 111.418 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 30' ' ' GLU . 10.4 t-160 -61.38 -29.14 69.73 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.066 0.946 . . . . 74.12 111.754 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 13.1 pt-20 -65.46 -22.16 66.72 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.188 0.44 . . . . 73.23 112.188 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -19.86 13.53 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 110.12 -0.326 . . . . 73.54 110.12 170.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.18 29.42 75.29 Favored Glycine 0 C--N 1.345 1.066 0 O-C-N 123.549 0.53 . . . . 45.2 113.842 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 t -83.04 172.54 12.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.023 0.529 . . . . 62.51 110.153 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 11.7 pt-20 -66.52 117.58 8.92 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 121.89 0.853 . . . . 73.32 110.987 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.458 HD12 HD11 ' A' ' 57' ' ' ILE . 31.7 mt -101.94 108.15 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.787 1.235 . . . . 43.53 108.164 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.81 101.77 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 108.272 -1.01 . . . . 74.13 108.272 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.4 HG23 HG22 ' A' ' 39' ' ' ILE . 59.4 t -104.5 138.77 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 108.413 -0.958 . . . . 62.14 108.413 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 41.6 tt0 -136.09 132.74 36.52 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.941 -0.392 . . . . 71.31 109.941 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.597 HG11 ' HG3' ' A' ' 72' ' ' LYS . 64.9 t -87.02 137.19 21.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.198 0.999 . . . . 72.23 108.37 175.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -132.07 102.75 5.94 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.428 1.091 . . . . 54.03 109.071 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.528 HG12 ' HA ' ' A' ' 81' ' ' VAL . 55.4 mt -133.81 100.47 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.724 0.81 . . . . 55.01 108.921 174.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.443 HD22 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER 72.05 -71.43 0.13 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.514 1.525 . . . . 74.45 111.175 174.128 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.46 -18.12 0.57 Allowed Glycine 0 N--CA 1.47 0.919 0 CA-C-N 115.363 -0.835 . . . . 44.34 111.394 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -77.89 108.83 11.41 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 123.303 0.641 . . . . 71.35 109.493 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.587 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 13.3 ptm180 -120.77 115.06 22.57 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.122 -0.944 . . . . 74.14 109.426 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 23.7 t70 -116.19 110.96 19.51 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.07 -0.968 . . . . 74.42 109.395 -175.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -92.42 132.27 36.9 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.1 -0.704 . . . . 71.32 109.1 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -136.84 133.8 48.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 107.637 -1.246 . . . . 73.12 107.637 -174.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -127.71 110.86 13.06 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 118.381 0.537 . . . . 74.53 109.871 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.511 HG21 HD21 ' A' ' 65' ' ' LEU . 30.2 m -123.49 149.9 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.562 1.145 . . . . 74.23 108.596 177.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 33.4 mtp85 -126.43 -83.12 0.62 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 119.229 0.922 . . . . 71.2 110.985 -175.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.446 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.93 94.88 9.16 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 107.839 -1.171 . . . . 73.32 107.839 177.698 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.653 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -137.15 127.51 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 114.989 -1.005 . . . . 64.3 109.901 -174.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -73.43 177.09 5.49 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.483 0.713 . . . . 43.23 110.795 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.74 -33.37 68.39 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.237 1.199 . . . . 74.21 114.237 -168.628 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -89.41 -28.15 19.94 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 118.098 0.408 . . . . 73.12 111.371 177.553 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -67.91 -37.89 82.25 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.845 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.653 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.5 pp -73.85 -20.8 60.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.85 0.357 . . . . 74.31 110.627 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HG2' HD12 ' A' ' 66' ' ' LEU . 9.6 mtpm? -64.76 -17.66 64.37 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-O 118.318 -0.848 . . . . 75.35 111.59 171.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.79 -26.66 68.23 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 118.951 0.796 . . . . 51.42 110.716 174.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 54' ' ' VAL . 2.0 mm? -64.78 -47.05 79.55 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 108.375 -0.972 . . . . 63.45 108.375 172.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.48 HD12 ' HG2' ' A' ' 63' ' ' LYS . 58.2 mt -66.83 -28.26 68.22 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.54 -1.209 . . . . 70.55 111.035 178.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 27.7 mm-40 -74.37 -25.35 59.45 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 123.575 0.547 . . . . 72.25 110.376 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 65.0 mtt180 -77.91 -54.33 6.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.217 0.207 . . . . 72.42 110.609 170.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.57 -43.72 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.038 0.935 . . . . 74.14 110.254 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 ptm85 -57.09 -41.84 79.64 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.754 0.659 . . . . 71.51 111.51 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 41.0 mt-10 -59.15 -40.7 86.34 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.027 0.83 . . . . 51.44 110.445 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.597 ' HG3' HG11 ' A' ' 43' ' ' VAL . 67.2 mmtt -72.02 -48.54 43.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.891 -1.05 . . . . 75.1 108.55 -172.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.4 pt -72.49 -28.49 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 116.209 -0.45 . . . . 64.0 111.672 -175.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -85.45 -28.46 25.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.31 0.244 . . . . 71.04 111.214 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -85.98 -36.19 19.96 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.356 -0.215 . . . . 72.31 110.739 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -83.6 -53.28 5.78 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.201 0.6 . . . . 70.22 109.524 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.31 29.1 73.48 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 115.19 -0.914 . . . . 61.11 112.392 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -78.32 157.54 29.13 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.61 0.764 . . . . 73.43 111.025 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.4 p -69.19 -38.36 78.62 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.315 -0.857 . . . . 74.13 110.201 172.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.32 98.54 9.5 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 120.969 0.414 . . . . 75.53 109.907 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.528 ' HA ' HG12 ' A' ' 45' ' ' ILE . 27.2 m -125.52 122.06 61.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 107.723 -1.214 . . . . 71.4 107.723 169.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -138.01 136.29 36.76 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 120.793 0.33 . . . . 74.0 111.173 -175.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.6 t -122.28 118.28 54.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.834 0.853 . . . . 65.34 109.523 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -107.72 110.36 22.18 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.786 0.835 . . . . 62.43 109.981 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.26 134.07 48.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 109.299 -0.63 . . . . 51.3 109.299 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -133.68 112.5 11.47 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.002 -1.111 . . . . 73.12 108.002 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -159.21 126.03 4.64 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 123.046 0.216 . . . . 65.12 110.858 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.43 31.45 76.84 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 124.042 0.839 . . . . 51.21 114.058 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.5 9.46 86.44 Favored Glycine 0 C--N 1.348 1.216 0 C-N-CA 123.136 0.398 . . . . 75.31 113.677 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -113.2 146.13 39.8 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.985 0.914 . . . . 73.44 110.196 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.1 m -131.85 132.78 43.98 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.827 0.851 . . . . 71.44 110.356 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.403 ' CH2' HD21 ' A' ' 32' ' ' LEU . 23.5 m-90 -127.64 151.69 48.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.076 0.95 . . . . 75.41 109.999 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.512 HG22 HD22 ' A' ' 95' ' ' ASN . 87.9 m -134.14 104.5 6.23 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.542 0.737 . . . . 72.45 109.508 175.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -100.29 108.9 21.07 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.335 0.654 . . . . 65.52 109.693 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.512 HD22 HG22 ' A' ' 93' ' ' THR . 6.7 p30 -141.54 148.45 39.38 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.092 0.957 . . . . 73.33 108.548 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -95.97 124.18 39.87 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.166 0.187 . . . . 64.33 110.697 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? . . . . . 0 CA--C 1.548 0.888 0 O-C-N 124.349 1.031 . . . . 63.4 108.324 -177.652 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 mtp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.324 -0.25 . . . . 64.35 110.324 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.04 -89.17 1.55 Allowed Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.675 -0.97 . . . . 23.42 110.675 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -84.41 82.97 8.16 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.204 0.602 . . . . 71.04 109.7 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -137.21 122.77 19.7 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.411 1.085 . . . . 75.03 108.87 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 t60 57.46 36.09 26.62 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.849 1.259 . . . . 75.31 110.34 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -68.76 98.52 0.92 Allowed 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.221 -0.9 . . . . 70.21 110.739 -177.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -62.16 96.23 0.07 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 107.715 -1.217 . . . . 75.51 107.715 166.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -130.32 76.33 1.72 Allowed 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.862 0.865 . . . . 54.31 108.696 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 61.41 -72.43 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 126.297 1.839 . . . . 74.44 112.274 169.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -55.1 -39.15 69.02 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.809 1.244 . . . . 72.45 111.752 174.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.3 tp -80.14 89.14 5.42 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.767 -0.827 . . . . 73.2 108.767 173.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -122.3 25.8 8.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.894 0.878 . . . . 62.33 109.416 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -45.84 -48.75 15.79 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.644 1.178 . . . . 64.31 111.476 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 77' ' ' GLY . 15.9 tp60 -96.46 86.48 4.17 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.11 -1.07 . . . . 44.23 108.11 171.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 m -64.11 96.5 0.15 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.856 -1.066 . . . . 70.23 110.686 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -79.21 78.86 5.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.386 0.674 . . . . 64.14 109.454 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.8 mtt -67.26 -48.54 67.42 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.992 -1.004 . . . . 74.31 108.408 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 m 68.1 -69.24 0.15 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.982 1.713 . . . . 73.31 113.97 160.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -45.46 -40.28 8.15 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.928 1.691 . . . . 74.33 113.527 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -37.25 37.8 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 112.556 0.576 . . . . 72.24 112.556 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.666 ' HB2' HH11 ' A' ' 24' ' ' ARG . 4.5 pp -79.02 -18.0 54.35 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.897 0.479 . . . . 62.44 111.676 -175.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 66' ' ' LEU . 91.9 mt -65.77 -27.84 68.58 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.5 -0.773 . . . . 54.51 111.283 173.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 5.7 tp10 -57.81 -41.47 82.25 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.517 0.727 . . . . 63.51 111.197 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.666 HH11 ' HB2' ' A' ' 21' ' ' LEU . 41.5 mtp180 -53.97 -29.98 45.14 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.523 1.129 . . . . 74.33 111.631 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.3 mt -87.28 -43.23 12.33 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.777 0.831 . . . . 75.53 110.505 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.707 ' HB2' HD21 ' A' ' 66' ' ' LEU . 29.7 ttp180 -60.03 -46.71 88.62 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.047 0.939 . . . . 71.42 111.532 -172.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 24.9 mm-40 -52.52 -46.25 66.61 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 124.875 1.359 . . . . 63.42 110.312 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.7 tp -63.89 -47.62 79.88 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.364 -0.834 . . . . 62.12 111.604 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -60.49 -31.77 70.79 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.505 0.503 . . . . 73.43 111.827 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.01 -35.88 64.42 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.516 0.726 . . . . 73.45 110.767 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 25.8 mm-40 -72.17 -19.14 61.8 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.055 0.542 . . . . 63.54 111.342 176.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 86.5 mt -90.31 -30.42 17.48 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.409 0.623 . . . . 71.14 110.428 171.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -62.28 -38.46 89.42 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 115.745 -0.661 . . . . 74.31 111.066 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.9 -14.76 63.22 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.893 0.701 . . . . 73.41 112.893 -176.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 3.6 ptm85 -107.87 -18.19 13.87 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 122.352 0.261 . . . . 51.41 110.356 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.41 49.45 56.54 Favored Glycine 0 C--N 1.353 1.474 0 O-C-N 123.631 0.582 . . . . 54.54 112.013 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.421 HG21 ' HB2' ' A' ' 87' ' ' SER . 11.5 t -90.66 167.65 12.36 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.45 0.7 . . . . 72.15 111.062 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 11.0 pt-20 -79.67 117.18 20.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.256 -0.884 . . . . 72.32 109.208 171.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.766 HD12 HD11 ' A' ' 57' ' ' ILE . 53.0 mt -104.12 132.88 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.781 0.832 . . . . 72.5 108.831 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 60.2 t -120.11 108.36 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 108.096 -1.076 . . . . 72.32 108.096 174.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.9 t -93.02 121.59 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.742 -0.836 . . . . 74.21 108.742 -176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 35.6 tt0 -122.35 105.56 10.3 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.171 -0.677 . . . . 61.22 109.171 -175.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -98.46 125.77 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.26 0.624 . . . . 64.14 109.517 -175.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.538 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 48.4 m-70 -115.8 115.61 26.59 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.089 0.956 . . . . 74.15 108.579 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 80' ' ' GLU . 53.0 mt -134.98 114.96 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 C-N-CA 122.91 0.484 . . . . 71.31 109.782 177.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.436 HD22 HG22 ' A' ' 45' ' ' ILE . 61.5 m-80 67.79 -63.05 0.32 Allowed 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.052 1.741 . . . . 74.01 111.534 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.65 24.63 0.1 Allowed Glycine 0 C--N 1.342 0.915 0 CA-C-N 116.262 -0.426 . . . . 52.43 112.529 174.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' A' ' 44' ' ' HIS . 8.2 mm-40 -101.13 142.55 32.42 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.786 0.834 . . . . 61.31 109.414 171.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -126.7 111.73 14.62 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-O 121.912 0.863 . . . . 71.41 109.094 173.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.502 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 29.9 m-20 -98.53 137.71 36.79 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.108 -1.071 . . . . 73.45 108.108 174.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -132.87 107.53 8.38 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.69 -0.485 . . . . 62.15 109.69 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.498 HG22 HG13 ' A' ' 54' ' ' VAL . 26.5 mt -114.5 107.73 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 107.965 -1.124 . . . . 74.41 107.965 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.49 104.3 16.34 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 107.989 -1.115 . . . . 61.11 107.989 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.498 HG13 HG22 ' A' ' 52' ' ' ILE . 3.1 m -112.4 105.18 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 124.33 1.052 . . . . 71.02 109.302 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.579 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 24.7 mtp-105 -103.14 126.29 50.25 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.989 -0.745 . . . . 74.35 108.989 -174.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.437 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER 59.23 32.76 22.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.647 0.779 . . . . 74.04 111.214 174.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.766 HD11 HD12 ' A' ' 39' ' ' ILE . 1.5 pp -67.83 155.7 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 116.012 -0.54 . . . . 63.03 111.636 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 m -87.32 -178.17 6.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.196 -0.911 . . . . 65.53 111.578 -170.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 38.9 ttpt -68.49 -51.59 41.6 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.589 0.755 . . . . 54.33 112.135 -170.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -27.63 55.73 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.169 0.588 . . . . 74.43 110.711 175.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 36.4 tt0 -70.52 -32.32 69.74 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.15 -0.932 . . . . 72.14 112.296 -177.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.6 pp -68.93 -26.5 65.1 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.063 0.459 . . . . 70.3 110.514 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.53 ' HA ' HD13 ' A' ' 66' ' ' LEU . 88.3 mttt -69.4 -20.62 63.81 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.551 -0.749 . . . . 62.25 110.737 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 61' ' ' GLU . 13.1 mmmm -70.06 -22.65 63.04 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 109.941 -0.392 . . . . 74.34 109.941 176.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -67.02 -45.08 78.6 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 109.471 -0.566 . . . . 75.25 109.471 173.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 26' ' ' ARG . 9.5 mp -58.76 -42.21 88.39 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.255 0.972 . . . . 53.13 111.375 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 11.0 pt-20 -68.84 -37.88 79.44 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 123.498 0.499 . . . . 72.43 110.744 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -58.78 -45.88 88.8 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 117.832 0.287 . . . . 62.35 111.2 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 65' ' ' LEU . 70.5 mt -65.43 -48.51 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.862 0.865 . . . . 65.22 110.372 -178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 14.4 ptm180 -64.69 -32.76 74.57 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.196 -0.457 . . . . 63.01 110.956 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 40.2 mt-10 -56.96 -43.87 82.03 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 109.117 -0.697 . . . . 74.53 109.117 173.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -68.38 -43.38 77.47 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.682 0.614 . . . . 73.33 110.91 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 70' ' ' ARG . 1.3 pp -66.09 -28.93 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 CA-C-O 121.044 0.45 . . . . 73.41 110.302 -177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -86.61 -27.08 24.08 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.337 1.055 . . . . 70.43 112.932 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 71' ' ' GLU . 94.1 mtt180 -75.9 -46.09 31.91 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.395 0.617 . . . . 62.31 109.652 175.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -74.25 -29.5 61.72 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 114.767 -1.106 . . . . 63.1 111.366 -174.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.526 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . 85.03 -58.02 4.98 Favored Glycine 0 C--O 1.218 -0.878 0 CA-C-N 115.88 -0.6 . . . . 60.13 111.963 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -51.62 140.21 19.0 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.528 1.131 . . . . 74.12 113.088 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.2 t -78.6 0.18 27.36 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.576 0.75 . . . . 72.11 110.397 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 45' ' ' ILE . 9.8 tp10 -63.93 86.82 0.04 OUTLIER 'General case' 0 C--N 1.357 0.908 0 C-N-CA 124.67 1.188 . . . . 71.21 110.51 173.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.4 t -133.34 142.05 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 124.245 1.018 . . . . 72.33 109.487 -175.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 31.9 tt0 -142.77 105.8 4.55 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.278 1.031 . . . . 65.24 108.559 175.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.7 t -100.17 111.2 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 109.262 -0.644 . . . . 63.54 109.262 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 42' ' ' GLU . 20.1 m-80 -101.57 105.13 16.05 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.004 -1.109 . . . . 73.11 108.004 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.12 117.9 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.781 -0.822 . . . . 63.2 108.781 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.532 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 76.9 m-70 -102.71 148.16 25.94 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.881 0.872 . . . . 73.04 108.727 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.421 ' HB2' HG21 ' A' ' 37' ' ' THR . 67.0 p -158.58 106.55 1.9 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.708 0.403 . . . . 74.53 110.278 175.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.05 -75.22 0.78 Allowed Glycine 0 CA--C 1.534 1.239 0 O-C-N 123.395 0.435 . . . . 63.33 112.129 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -152.96 28.65 0.81 Allowed Glycine 0 C--N 1.341 0.828 0 C-N-CA 123.477 0.56 . . . . 73.0 111.702 171.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 22.4 mt-30 -115.4 122.15 44.94 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.016 0.926 . . . . 63.11 109.912 -176.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.3 m -119.59 117.55 28.64 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.864 0.866 . . . . 75.51 109.701 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -108.48 115.2 29.65 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.331 0.652 . . . . 73.42 109.395 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 75.4 m -94.95 104.55 16.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.511 0.724 . . . . 73.2 109.483 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -91.23 113.28 25.5 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.003 0.921 . . . . 74.13 108.755 175.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.7 120.07 37.42 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 106.81 -1.552 . . . . 74.12 106.81 174.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -71.17 140.28 50.47 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 109.398 -0.593 . . . . 72.43 109.398 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt . . . . . 0 C--O 1.249 1.04 0 C-N-CA 123.385 0.674 . . . . 53.24 109.562 -176.256 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 111.861 0.319 . . . . 64.1 111.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.19 143.29 17.48 Favored Glycine 0 C--N 1.353 1.494 0 C-N-CA 123.254 0.454 . . . . 60.54 111.993 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -79.54 78.17 6.09 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.613 0.72 . . . . 72.2 109.521 173.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -81.55 93.54 6.71 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 107.577 -1.268 . . . . 70.02 107.577 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -73.43 71.6 1.3 Allowed 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 122.619 1.2 . . . . 62.14 111.392 -173.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -96.28 129.09 43.69 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 107.48 -1.304 . . . . 75.54 107.48 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -65.4 89.72 0.1 Allowed 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.418 -0.956 . . . . 72.2 108.418 168.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -69.92 -101.94 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 117.718 -1.134 . . . . 73.12 108.517 172.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 69.43 -25.33 0.15 Allowed 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 124.701 1.2 . . . . 53.23 113.966 171.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -69.08 171.22 8.56 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.259 1.023 . . . . 74.33 109.668 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.4 tp 76.02 -23.77 0.23 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.824 1.25 . . . . 74.1 111.408 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -72.88 -168.62 0.49 Allowed 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.484 0.714 . . . . 71.53 109.461 161.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -66.76 146.83 54.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.934 0.494 . . . . 74.01 110.539 176.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -70.95 -12.1 61.34 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 122.744 0.418 . . . . 71.04 111.159 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 m -60.86 146.64 45.71 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 124.26 1.024 . . . . 64.42 109.935 167.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -62.76 117.12 5.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.407 0.683 . . . . 70.11 110.065 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.1 mmm -71.02 -175.58 1.18 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.469 0.707 . . . . 74.5 110.328 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -54.9 124.25 16.04 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.444 0.697 . . . . 72.34 111.724 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -159.9 -33.57 0.06 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.622 1.169 . . . . 75.22 110.171 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.87 -45.51 86.24 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.156 0.582 . . . . 71.31 111.392 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.23 -49.41 67.31 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.183 0.593 . . . . 71.22 109.656 173.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.723 ' HB3' HD13 ' A' ' 66' ' ' LEU . 75.0 mt -60.8 -32.75 72.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.202 1.001 . . . . 75.55 112.181 -174.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 9.4 tp10 -68.0 -32.11 72.26 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.871 0.868 . . . . 75.31 109.865 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -68.14 -27.67 66.64 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.713 -0.676 . . . . 74.51 110.153 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.81 -38.13 33.63 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 115.498 -0.773 . . . . 75.4 109.158 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -62.07 -51.29 68.55 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.942 0.897 . . . . 75.15 109.946 -178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 35.5 mm-40 -57.8 -45.93 85.37 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 124.182 0.926 . . . . 75.31 110.891 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 59.1 tp -62.4 -49.77 74.18 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 124.076 0.86 . . . . 64.21 111.469 -176.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' A' ' 62' ' ' LEU . 21.5 m-30 -66.86 -41.72 86.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.771 0.428 . . . . 71.22 110.787 -175.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.39 -30.49 71.31 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.384 0.673 . . . . 62.23 111.146 177.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -74.6 -36.34 62.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.347 1.059 . . . . 65.44 110.941 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 91.2 mt -81.93 -21.16 37.44 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.43 0.692 . . . . 74.14 110.772 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -63.73 -25.99 68.45 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.143 0.977 . . . . 75.33 111.545 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -27.52 69.25 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.009 0.524 . . . . 54.34 111.176 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -19.83 13.53 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.164 0.186 . . . . 73.2 110.509 173.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.04 49.68 75.86 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 123.74 0.65 . . . . 71.52 112.212 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 t -74.98 168.85 19.15 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.139 0.976 . . . . 75.01 111.655 -176.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 87' ' ' SER . 6.6 pt-20 -65.15 86.56 0.06 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 124.401 1.08 . . . . 72.43 111.411 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.95 109.64 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.716 0.807 . . . . 74.41 109.053 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 59.9 t -107.12 104.73 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.866 -1.161 . . . . 63.01 107.866 177.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.56 110.07 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 108.203 -1.036 . . . . 72.31 108.203 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 84.4 tt0 -120.17 107.84 13.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.195 0.598 . . . . 71.03 109.73 -176.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 34.8 t -88.5 137.7 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.278 1.031 . . . . 73.23 108.751 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 58.0 m170 -124.65 108.44 12.04 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.713 0.805 . . . . 75.31 108.897 178.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 81' ' ' VAL . 56.0 mt -139.82 110.59 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.152 0.981 . . . . 64.14 109.618 -178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 52.83 34.0 15.49 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 125.373 1.469 . . . . 65.11 112.948 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.99 -21.01 48.28 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 115.796 -0.638 . . . . 72.55 113.455 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.14 117.13 19.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 117.227 0.513 . . . . 72.14 109.779 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.52 134.48 42.33 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.047 0.451 . . . . 73.34 110.005 174.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 28.9 t70 -115.65 110.57 19.36 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 107.443 -1.317 . . . . 72.35 107.443 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -117.31 112.46 20.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.189 0.595 . . . . 74.2 110.165 -169.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.2 mt -119.24 107.63 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 108.236 -1.024 . . . . 75.4 108.236 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HG2' HG13 ' A' ' 40' ' ' VAL . 74.3 mtt180 -95.99 106.59 18.77 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.59 0.756 . . . . 63.32 109.236 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.65 152.98 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.751 1.22 . . . . 74.33 108.945 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -117.98 -80.25 0.61 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.513 -0.551 . . . . 74.23 109.513 173.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -104.59 57.82 0.7 Allowed 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.969 0.89 . . . . 63.21 109.088 -170.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.558 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.2 pp -70.43 -178.16 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 CA-C-N 114.123 -1.398 . . . . 74.33 110.904 173.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.5 m -102.88 168.2 9.37 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.694 0.798 . . . . 74.54 110.252 -177.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.576 ' HD3' ' H ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -75.23 -33.61 61.37 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.83 1.048 . . . . 73.22 113.83 -167.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.27 -28.53 21.03 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.223 0.535 . . . . 73.5 110.259 171.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -68.55 -30.37 69.15 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.232 -0.895 . . . . 53.12 112.225 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 29' ' ' PHE . 3.8 pp -71.83 -20.43 61.83 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 121.097 0.475 . . . . 71.42 110.966 175.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 95.0 mttt -72.61 -17.29 61.7 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.022 0.529 . . . . 72.24 110.608 174.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.502 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 13.0 mmmm -67.47 -32.81 73.9 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.024 -0.535 . . . . 70.51 110.141 168.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.3 mt -60.89 -38.41 85.57 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.052 0.541 . . . . 73.4 111.002 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 22' ' ' LEU . 4.2 pp -83.59 -30.25 27.13 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.803 0.441 . . . . 71.12 111.709 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.594 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -74.52 -19.96 60.16 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.961 -0.462 . . . . 73.43 110.237 175.608 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 4.7 mtp180 -70.93 -17.33 62.69 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.696 0.798 . . . . 71.01 111.442 169.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.48 HD13 HG21 ' A' ' 83' ' ' VAL . 52.8 mt -83.41 -47.46 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.306 0.643 . . . . 53.54 109.791 172.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.594 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 13.0 ptm180 -64.36 -37.05 86.12 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 116.105 -0.498 . . . . 73.53 111.503 -173.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.11 -32.42 70.97 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.551 0.532 . . . . 62.13 109.97 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 40.6 mmtm -74.86 -46.6 35.28 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 123.756 0.66 . . . . 64.23 110.457 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.53 -27.21 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 111.443 0.164 . . . . 75.22 111.443 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -82.34 -43.79 16.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.562 0.745 . . . . 70.35 111.401 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -64.36 -34.0 77.14 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 110.036 -0.357 . . . . 74.3 110.036 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -79.51 -56.66 4.15 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.62 -0.718 . . . . 73.14 110.452 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.16 -4.84 71.25 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.085 -0.961 . . . . 24.33 112.838 -172.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.9 m -87.03 151.11 23.55 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 123.655 0.782 . . . . 65.32 111.229 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -89.4 -11.46 43.12 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.901 -1.045 . . . . 72.31 110.403 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -71.24 93.84 1.13 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 109.561 -0.533 . . . . 70.44 109.561 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.401 ' HA ' HG12 ' A' ' 45' ' ' ILE . 5.0 p -134.67 133.51 54.39 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 C-N-CA 124.05 0.94 . . . . 71.42 109.257 176.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 39.5 tt0 -136.24 107.28 6.72 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.783 0.833 . . . . 73.05 108.774 176.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 69' ' ' ILE . 25.5 t -98.83 110.97 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 108.544 -0.91 . . . . 64.31 108.544 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.498 ' ND2' HG22 ' A' ' 93' ' ' THR . 11.0 m120 -101.17 107.35 18.73 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.11 -1.07 . . . . 62.11 108.11 177.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.8 t -95.38 106.7 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 108.042 -1.096 . . . . 74.01 108.042 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 22.0 m-70 -97.07 111.81 23.87 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 107.15 -1.426 . . . . 64.1 107.15 -177.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 18.6 m -140.5 106.87 5.27 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.297 0.499 . . . . 71.24 111.178 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.75 33.07 86.26 Favored Glycine 0 C--N 1.353 1.525 0 O-C-N 124.368 1.043 . . . . 54.5 113.934 174.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.86 -13.72 57.6 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-O 119.596 -0.558 . . . . 61.31 113.489 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -92.24 156.95 16.95 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.217 0.607 . . . . 74.5 110.259 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.2 m -142.44 114.41 8.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.413 0.685 . . . . 74.15 109.872 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -91.81 126.73 37.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.678 0.791 . . . . 71.14 109.324 173.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.498 HG22 ' ND2' ' A' ' 84' ' ' ASN . 71.2 p -102.99 107.27 18.01 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.367 0.667 . . . . 73.4 110.281 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -99.87 108.89 21.27 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.552 0.741 . . . . 74.3 109.934 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -99.55 157.68 16.28 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.784 0.833 . . . . 71.41 109.391 173.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.2 132.13 50.73 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 109.129 -0.693 . . . . 75.33 109.129 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt . . . . . 0 CA--C 1.555 1.141 0 CA-C-O 118.217 -0.897 . . . . 72.55 110.428 -174.476 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 108.975 -0.75 . . . . 74.12 108.975 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.1 -153.52 23.18 Favored Glycine 0 C--O 1.242 0.653 0 N-CA-C 109.739 -1.344 . . . . 73.43 109.739 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -137.05 134.14 36.22 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 117.299 0.55 . . . . 73.31 110.179 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -87.87 173.71 8.78 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.997 0.919 . . . . 64.52 108.884 172.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -61.01 142.13 56.84 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.351 0.66 . . . . 70.12 111.02 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -69.69 80.52 0.43 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.338 1.055 . . . . 62.53 112.231 -170.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -176.62 149.54 0.78 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.28 1.432 . . . . 72.35 107.793 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.662 ' HB2' ' HA ' ' A' ' 76' ' ' GLU . 1.7 p-80 -85.47 159.29 19.97 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.623 0.249 . . . . 73.14 110.782 173.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . 13.0 mm-40 -76.64 93.58 3.64 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.2 -0.667 . . . . 75.34 109.2 172.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -75.15 77.7 2.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.23 0.612 . . . . 52.43 110.365 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tt 53.4 61.67 3.02 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.101 1.361 . . . . 75.34 110.016 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -123.1 -76.48 0.59 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.617 -0.882 . . . . 73.31 108.617 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -78.97 84.32 5.0 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.616 -0.883 . . . . 73.41 108.616 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -85.02 90.23 7.79 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.804 -1.184 . . . . 75.21 107.804 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.8 p -61.37 -17.88 56.06 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.338 1.055 . . . . 72.45 111.856 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.9 m80 65.89 38.6 4.97 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 124.857 1.263 . . . . 74.14 109.889 -174.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.8 ttm -60.16 -9.92 3.86 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 124.463 1.105 . . . . 72.42 112.078 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' ' 70' ' ' ARG . 76.5 p -75.27 -5.68 45.86 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.586 1.555 . . . . 52.03 113.117 173.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -61.48 104.19 0.39 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.267 1.027 . . . . 74.34 110.764 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 72.65 -11.23 0.86 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.147 1.379 . . . . 71.21 112.52 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.25 -54.7 33.27 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.414 1.085 . . . . 70.51 109.531 173.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.79 -40.72 93.65 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 124.127 0.892 . . . . 65.15 111.082 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 36.5 tt0 -59.18 -43.55 92.17 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.53 0.519 . . . . 63.32 110.662 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -67.59 -28.49 67.81 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.437 0.695 . . . . 74.22 111.744 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.8 mt -77.97 -34.0 51.2 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.79 -0.819 . . . . 72.14 108.79 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.477 ' HB2' HD11 ' A' ' 66' ' ' LEU . 38.9 ttp180 -65.31 -44.8 86.71 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.987 -1.006 . . . . 74.43 109.355 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 30.4 mm-40 -53.54 -40.99 65.95 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.344 1.028 . . . . 73.11 110.806 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.94 -52.18 64.04 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 114.997 -1.001 . . . . 54.24 110.534 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.41 ' HB2' HD13 ' A' ' 62' ' ' LEU . 22.2 m-85 -65.33 -34.38 78.19 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.994 0.517 . . . . 74.52 111.872 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.94 -34.82 71.85 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.77 0.828 . . . . 71.12 110.32 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.86 -48.27 72.15 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.023 -0.732 . . . . 72.53 109.023 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.23 -25.71 68.18 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.358 1.063 . . . . 72.51 111.831 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -55.52 -26.2 41.59 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.334 1.054 . . . . 73.44 112.664 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.81 -31.61 68.6 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.38 0.672 . . . . 72.12 111.308 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.33 -31.5 8.16 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.93 0.492 . . . . 75.4 110.159 176.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.11 42.12 99.69 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.864 0.727 . . . . 61.44 113.136 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.2 t -78.37 177.01 8.81 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.293 0.637 . . . . 75.51 110.987 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.22 93.2 0.06 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.36 1.064 . . . . 74.23 112.059 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.439 ' HB ' HG23 ' A' ' 54' ' ' VAL . 47.9 mt -94.47 109.76 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 108.571 -0.9 . . . . 73.11 108.571 177.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' HG2' ' A' ' 53' ' ' ARG . 46.8 t -112.0 103.21 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 108.572 -0.899 . . . . 70.21 108.572 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -94.13 119.6 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 109.16 -0.682 . . . . 74.42 109.16 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.578 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 35.4 mt-10 -112.71 107.41 16.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.673 0.789 . . . . 70.12 110.594 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 21.5 t -93.7 98.45 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 N-CA-C 107.852 -1.166 . . . . 61.13 107.852 175.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -89.77 106.58 18.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.012 -0.995 . . . . 64.12 109.331 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.447 HG12 ' HA ' ' A' ' 81' ' ' VAL . 38.4 mt -134.57 124.93 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.823 0.849 . . . . 75.42 109.745 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 57.63 35.59 25.84 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.805 1.242 . . . . 62.11 112.653 173.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.93 -21.75 35.06 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 115.66 -0.7 . . . . 64.41 113.257 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -82.91 140.96 32.54 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.84 0.856 . . . . 72.14 110.753 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -115.95 124.55 50.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.809 0.843 . . . . 74.21 110.141 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.578 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 27.6 t0 -100.65 111.27 23.48 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 108.235 -1.024 . . . . 73.02 108.235 172.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -105.34 110.82 23.31 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.711 -0.848 . . . . 74.11 108.711 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -114.67 130.09 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 106.83 -1.544 . . . . 65.33 106.83 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' HG2' HG13 ' A' ' 40' ' ' VAL . 45.9 mtp180 -122.5 114.68 21.01 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.997 -0.742 . . . . 74.22 108.997 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.549 HG21 HD11 ' A' ' 65' ' ' LEU . 27.1 m -127.57 152.34 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.796 1.238 . . . . 62.42 108.799 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -123.97 -89.15 0.59 Allowed 'General case' 0 N--CA 1.484 1.274 0 O-C-N 122.152 -0.342 . . . . 71.34 110.841 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -92.99 37.73 1.03 Allowed 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.649 0.78 . . . . 61.25 110.067 -170.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.579 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pp -63.32 142.53 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.395 1.078 . . . . 72.51 112.941 -174.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 m -78.63 175.03 10.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.605 0.762 . . . . 72.2 109.944 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 58.0 pttt -57.77 -39.62 77.87 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.453 0.701 . . . . 72.34 110.821 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.41 -33.47 73.05 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.157 0.983 . . . . 65.31 111.296 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.1 -31.76 27.11 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.021 0.528 . . . . 62.04 111.334 -174.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HB3' HD13 ' A' ' 57' ' ' ILE . 4.6 pp -76.92 -20.92 55.62 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.906 -0.496 . . . . 52.42 110.125 174.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 59' ' ' LYS . 57.0 mtpt -64.54 -21.92 66.82 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 119.329 -0.367 . . . . 71.15 110.977 167.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 32.7 mmmt -67.92 -25.26 65.39 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 110.332 -0.247 . . . . 74.42 110.332 175.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.549 HD11 HG21 ' A' ' 54' ' ' VAL . 92.7 mt -69.22 -40.21 78.11 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.401 -0.592 . . . . 74.41 109.401 174.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 26' ' ' ARG . 38.0 mt -65.49 -33.53 76.15 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.24 -0.891 . . . . 62.43 110.543 178.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 32.2 mm-40 -61.38 -56.24 22.53 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 115.779 -0.646 . . . . 71.34 109.612 173.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 21.0 mmt180 -58.0 -43.4 86.61 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.252 -0.431 . . . . 72.34 111.89 -172.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.37 -47.15 93.23 Favored 'Isoleucine or valine' 0 C--O 1.25 1.109 0 O-C-N 123.808 0.693 . . . . 73.5 110.349 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HB2' HG21 ' A' ' 18' ' ' THR . 7.1 ptp85 -61.11 -39.79 91.32 Favored 'General case' 0 C--N 1.371 1.531 0 O-C-N 123.353 0.408 . . . . 53.24 110.082 -178.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 45.3 mt-10 -62.04 -31.24 71.63 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.193 0.933 . . . . 61.43 111.198 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 36.1 mmtm -78.34 -50.63 11.42 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 109.96 -0.385 . . . . 74.0 109.96 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.9 -28.47 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 O-C-N 123.318 0.386 . . . . 74.3 111.819 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -86.6 -36.63 18.74 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.114 0.566 . . . . 53.13 111.679 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -72.72 -23.32 60.84 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.02 0.373 . . . . 73.51 110.749 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.662 ' HA ' ' HB2' ' A' ' 8' ' ' HIS . 39.4 mm-40 -96.12 -34.65 11.62 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.075 -0.511 . . . . 74.11 110.875 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.585 ' HA3' ' HB2' ' A' ' 9' ' ' GLU . . . 61.31 20.07 58.16 Favored Glycine 0 C--N 1.349 1.26 0 O-C-N 123.497 0.498 . . . . 43.43 112.911 -174.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.9 m -106.56 142.44 36.2 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.07 0.948 . . . . 74.12 110.057 -171.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 m -74.47 -10.04 59.18 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.678 0.791 . . . . 62.32 111.428 175.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -71.38 92.25 1.06 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.314 1.046 . . . . 53.12 109.048 178.482 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.447 ' HA ' HG12 ' A' ' 45' ' ' ILE . 6.0 p -142.6 136.22 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.734 0.413 . . . . 75.52 111.512 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.41 ' HG2' ' ND2' ' A' ' 84' ' ' ASN . 22.7 tt0 -141.8 105.81 4.76 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.223 -1.028 . . . . 74.11 108.223 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.47 109.83 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.922 -0.769 . . . . 61.44 108.922 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.41 ' ND2' ' HG2' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -100.51 104.77 16.16 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.814 -1.18 . . . . 65.13 107.814 177.377 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 91' ' ' THR . 91.2 t -93.31 113.7 28.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 108.312 -0.995 . . . . 74.55 108.312 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.446 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 38.6 m-70 -94.86 148.37 22.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.668 -1.234 . . . . 72.34 107.668 174.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -161.3 101.84 1.23 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.227 -0.657 . . . . 63.33 109.227 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.26 38.9 57.73 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 124.222 0.951 . . . . 71.55 115.095 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.37 -29.72 10.63 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.841 0.32 . . . . 63.31 113.284 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -79.69 147.11 32.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.544 0.738 . . . . 74.34 110.309 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 68.3 m -143.74 115.87 8.41 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.295 0.638 . . . . 52.32 110.508 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.8 m-90 -98.06 115.05 27.45 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.492 -0.929 . . . . 63.31 108.492 172.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.3 p -92.75 103.97 16.28 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.235 0.541 . . . . 72.43 109.837 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -89.59 120.72 31.13 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.071 -1.085 . . . . 74.13 108.071 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -98.1 160.31 14.38 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.878 0.871 . . . . 71.04 110.203 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.62 146.8 15.73 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.318 0.647 . . . . 62.34 111.379 174.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? . . . . . 0 CA--C 1.556 1.198 0 C-N-CA 123.707 0.803 . . . . 74.34 109.462 -178.29 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.584 -0.524 . . . . 73.23 109.584 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.18 79.87 0.03 OUTLIER Glycine 0 C--N 1.344 1.004 0 N-CA-C 111.123 -0.791 . . . . 62.43 111.123 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.2 163.83 25.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.278 0.631 . . . . 64.41 110.758 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -117.44 120.81 39.27 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 108.77 -0.826 . . . . 74.3 108.77 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -82.54 133.04 35.19 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.479 -0.563 . . . . 73.21 109.479 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -151.41 97.01 2.35 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.609 -0.886 . . . . 73.4 108.609 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -81.36 132.63 35.34 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.135 -0.484 . . . . 74.24 109.793 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -90.18 127.62 36.16 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.734 -0.839 . . . . 72.43 108.734 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -77.3 151.95 34.77 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.288 0.368 . . . . 74.32 110.416 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -68.9 152.39 45.34 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.815 -0.629 . . . . 75.44 109.901 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.0 tp -137.99 124.32 20.57 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.717 -0.845 . . . . 72.44 108.717 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -127.56 -172.68 2.72 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.608 0.763 . . . . 75.14 110.307 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -57.56 140.92 49.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.111 0.964 . . . . 74.32 111.721 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -119.33 142.02 48.51 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.417 -0.957 . . . . 65.32 108.417 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 56.0 p -75.07 166.43 23.68 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.438 0.695 . . . . 35.23 110.692 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.88 -17.86 64.61 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.689 0.796 . . . . 63.33 111.989 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 mtm 64.57 14.59 9.07 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.798 1.239 . . . . 54.4 112.738 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.4 p -64.18 -17.15 63.24 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.788 0.435 . . . . 61.31 111.937 -175.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -86.12 -55.52 3.89 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.036 0.534 . . . . 55.03 110.063 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -77.52 -55.08 5.67 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.825 0.85 . . . . 71.21 112.019 -171.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -54.78 -52.25 63.19 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.437 0.695 . . . . 73.54 110.266 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 70' ' ' ARG . 82.1 mt -69.52 -25.54 64.09 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 123.631 0.582 . . . . 60.11 112.126 -178.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 42.5 tt0 -61.76 -36.63 81.58 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 110.305 -0.257 . . . . 74.31 110.305 175.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -62.94 -30.87 71.89 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.572 0.545 . . . . 74.3 109.744 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 22' ' ' LEU . 3.3 mm? -77.51 -43.18 32.97 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 115.655 -0.702 . . . . 61.42 110.127 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.603 ' HB2' HD21 ' A' ' 66' ' ' LEU . 41.5 ttm180 -58.04 -51.75 68.39 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.268 0.627 . . . . 73.24 110.971 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 30.9 mm-40 -60.01 -39.92 87.49 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.338 1.024 . . . . 72.11 110.711 -178.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.7 tp -66.95 -42.95 84.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.204 0.602 . . . . 72.04 110.748 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -68.29 -24.24 64.84 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.866 0.466 . . . . 74.33 110.886 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.82 -32.02 52.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.481 0.712 . . . . 64.32 110.979 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 16.7 mm-40 -62.41 -34.6 77.06 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.497 0.665 . . . . 72.02 109.574 170.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 mt -87.51 -24.21 24.16 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 115.424 -0.807 . . . . 70.4 111.779 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -64.32 -32.22 73.73 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.904 0.881 . . . . 55.25 111.84 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.04 -28.75 70.31 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.044 0.538 . . . . 73.3 111.358 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -112.26 -10.16 13.84 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.213 0.605 . . . . 70.25 110.763 -175.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.08 28.18 72.47 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 123.859 0.725 . . . . 74.43 114.492 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -71.31 162.29 29.68 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.284 0.564 . . . . 62.11 111.687 -172.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.601 ' HB3' ' HE ' ' A' ' 55' ' ' ARG . 7.5 pt-20 -73.63 98.93 2.96 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.193 0.997 . . . . 72.23 111.266 -176.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 57' ' ' ILE . 46.9 mt -92.59 115.4 31.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.835 -0.802 . . . . 73.44 108.835 -176.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 45.2 t -108.03 102.83 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 107.979 -1.119 . . . . 65.51 107.979 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.4 t -93.78 124.78 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 108.719 -0.845 . . . . 75.31 108.719 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 43.1 tt0 -124.04 107.55 11.41 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.874 0.87 . . . . 74.22 109.086 -173.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 46.8 t -89.55 124.1 42.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.003 0.921 . . . . 63.24 109.276 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 37.9 m-70 -114.73 99.4 7.48 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.257 1.023 . . . . 72.44 108.792 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.496 HG22 ' ND2' ' A' ' 46' ' ' ASN . 25.8 mt -128.34 123.01 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 N-CA-C 109.424 -0.584 . . . . 72.52 109.424 176.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.496 ' ND2' HG22 ' A' ' 45' ' ' ILE . 55.5 m-80 63.61 18.44 11.1 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 125.007 1.323 . . . . 62.4 112.449 -176.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.19 -5.71 71.75 Favored Glycine 0 C--N 1.351 1.361 0 CA-C-O 120.117 -0.268 . . . . 65.34 113.075 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -85.99 124.34 32.32 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.259 0.624 . . . . 72.41 110.055 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -91.74 153.54 19.56 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.623 0.769 . . . . 75.34 110.039 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.599 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 37.9 t70 -144.57 111.82 5.99 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.755 0.422 . . . . 72.0 110.234 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.74 123.27 42.86 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.568 0.747 . . . . 43.13 110.38 -174.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 mt -128.33 108.22 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.225 -1.028 . . . . 74.31 108.225 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG2' HG22 ' A' ' 40' ' ' VAL . 23.5 mtm180 -98.63 123.6 42.92 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.795 0.438 . . . . 71.22 110.843 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG21 HD21 ' A' ' 65' ' ' LEU . 14.7 m -135.34 135.99 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.65 1.18 . . . . 64.31 109.403 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.601 ' HE ' ' HB3' ' A' ' 38' ' ' GLU . 29.3 mtp-105 -131.35 129.46 41.41 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.484 -0.562 . . . . 74.12 109.484 -177.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.43 19.46 11.81 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.508 1.123 . . . . 72.04 112.706 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.468 HD13 ' HB3' ' A' ' 62' ' ' LEU . 2.0 pp -62.46 149.5 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 113.019 0.748 . . . . 74.24 113.019 -175.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.562 ' HB2' ' HG2' ' A' ' 61' ' ' GLU . 14.3 m -74.52 170.83 14.93 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 115.908 -0.587 . . . . 61.51 111.212 -178.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -21.73 61.18 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.08 0.467 . . . . 74.3 111.624 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -87.56 -27.38 22.6 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.254 0.622 . . . . 74.54 110.848 171.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HG2' ' HB2' ' A' ' 58' ' ' SER . 17.0 mm-40 -77.47 -24.35 50.21 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.653 0.381 . . . . 63.23 111.882 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.659 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.4 pp -69.46 -23.73 63.7 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 110.287 -0.264 . . . . 71.42 110.287 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -64.72 -20.72 66.49 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.447 0.699 . . . . 73.23 111.642 173.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -76.67 -20.13 56.99 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.443 0.697 . . . . 71.2 110.194 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 62' ' ' LEU . 3.6 mm? -77.44 -41.65 38.95 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.907 -0.775 . . . . 75.54 108.907 170.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 26' ' ' ARG . 10.8 mp -54.94 -41.88 71.61 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.642 0.777 . . . . 63.43 109.91 170.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 27.9 tt0 -64.65 -50.67 66.17 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 114.319 -1.31 . . . . 73.21 109.794 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -56.43 -26.38 53.45 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.533 0.733 . . . . 71.03 112.901 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.8 mt -84.36 -44.8 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.41 0.684 . . . . 70.51 110.796 175.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.516 ' HB3' HD11 ' A' ' 22' ' ' LEU . 11.1 ptt180 -62.05 -38.55 89.19 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 122.619 0.368 . . . . 63.31 110.356 -174.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 20.5 mm-40 -56.58 -36.71 69.67 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.958 0.786 . . . . 42.24 109.373 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -75.35 -51.07 14.04 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 115.43 -0.805 . . . . 73.13 109.68 -175.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.1 -21.69 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 117.692 0.224 . . . . 64.31 111.5 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -76.93 -46.33 24.63 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.619 0.768 . . . . 71.41 110.971 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 mtp-105 -67.24 -45.86 75.49 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.369 0.668 . . . . 70.31 111.186 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -78.4 -56.59 4.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.088 0.955 . . . . 72.34 109.087 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.1 29.78 76.24 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.184 -0.916 . . . . 72.21 112.981 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.9 t -102.85 162.8 12.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.087 0.955 . . . . 72.33 110.225 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 m -90.32 -13.61 34.83 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.343 0.657 . . . . 61.2 111.147 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 10.7 tp10 -79.61 73.09 6.31 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.29 -0.633 . . . . 63.12 109.29 176.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.1 t -125.79 129.72 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.703 0.801 . . . . 55.14 109.531 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 30.4 tt0 -142.49 113.56 7.62 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.2 1.0 . . . . 62.41 109.312 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.0 t -99.46 116.52 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 122.979 0.512 . . . . 52.21 110.276 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER -102.36 107.74 18.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.851 0.86 . . . . 62.23 108.824 177.299 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.0 t -94.56 115.81 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.959 -0.756 . . . . 73.23 108.959 172.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.589 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 55.0 m-70 -104.08 153.53 20.79 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.808 -1.182 . . . . 64.02 107.808 173.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 61.5 p -158.22 105.23 1.9 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.928 -0.397 . . . . 75.32 109.928 174.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.87 -80.81 0.67 Allowed Glycine 0 C--N 1.346 1.1 0 N-CA-C 111.703 -0.559 . . . . 64.43 111.703 -175.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -140.89 6.71 2.63 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 123.588 0.613 . . . . 63.42 112.16 173.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 86' ' ' HIS . 36.2 mt-30 -89.42 147.13 24.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.427 1.091 . . . . 54.42 109.773 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.7 m -142.27 126.0 16.99 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.62 0.645 . . . . 74.14 111.412 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -116.91 136.92 52.57 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.922 1.289 . . . . 73.31 107.911 169.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.6 p -127.49 108.75 11.08 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.669 0.387 . . . . 74.43 110.38 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -92.1 137.31 32.47 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.383 -0.969 . . . . 74.55 108.383 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -143.5 136.12 27.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.836 0.454 . . . . 72.11 109.778 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.15 126.84 31.47 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.73 0.412 . . . . 73.31 109.984 173.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt . . . . . 0 C--O 1.245 0.855 0 C-N-CA 123.467 0.707 . . . . 73.32 109.963 176.231 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 mtm . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 109.395 -0.594 . . . . 71.44 109.395 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.67 -178.47 53.95 Favored Glycine 0 C--N 1.348 1.216 0 O-C-N 123.365 0.416 . . . . 64.42 113.803 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -163.39 107.35 1.03 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.839 0.856 . . . . 73.51 109.813 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -119.8 135.18 54.96 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.512 1.125 . . . . 63.54 108.585 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -99.24 -43.28 6.67 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.535 0.734 . . . . 74.24 111.172 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 59.99 86.34 0.1 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 124.402 1.063 . . . . 74.22 110.765 -170.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -76.77 138.28 39.8 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.684 -0.689 . . . . 71.12 109.403 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -149.13 54.92 0.98 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 122.046 0.927 . . . . 75.2 109.655 -171.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -71.15 92.21 0.97 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 114.616 -1.174 . . . . 73.54 108.783 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -150.36 89.3 1.56 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.547 -1.279 . . . . 72.53 107.547 178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.7 mt -121.21 108.49 13.82 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 107.123 -1.436 . . . . 74.33 107.123 175.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -73.27 76.82 1.32 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.152 0.581 . . . . 63.11 110.875 -178.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -65.94 139.23 58.23 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.489 -0.93 . . . . 71.35 108.489 171.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -58.58 105.61 0.31 Allowed 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.838 0.711 . . . . 60.55 110.902 -170.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 m -82.44 66.91 8.26 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.458 1.103 . . . . 60.51 111.929 -171.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -109.42 -5.96 15.61 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.689 0.795 . . . . 73.5 109.809 172.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -85.35 122.64 29.81 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.065 0.946 . . . . 75.54 109.453 176.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 m -82.61 -18.31 41.67 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.657 0.783 . . . . 64.45 111.846 -171.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -76.48 7.54 4.36 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.378 0.881 . . . . 52.51 113.378 -171.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.47 -67.78 0.41 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.791 0.836 . . . . 71.44 111.181 177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.419 ' O ' HD23 ' A' ' 25' ' ' LEU . 2.7 pt? -68.93 -19.24 64.18 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 116.108 -0.496 . . . . 74.41 110.947 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.524 ' HB3' HD13 ' A' ' 66' ' ' LEU . 68.4 mt -78.29 -36.64 46.35 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.17 0.588 . . . . 74.25 111.495 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.64 -39.18 93.7 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.332 0.653 . . . . 64.32 111.138 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -22.41 62.38 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.763 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 21' ' ' LEU . 3.7 mm? -77.71 -34.72 52.61 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.433 -0.58 . . . . 55.1 109.433 172.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -61.26 -40.3 93.58 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.096 0.958 . . . . 62.44 110.165 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -59.95 -41.68 92.38 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.12 0.887 . . . . 74.41 111.034 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.58 -36.08 75.94 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.711 0.804 . . . . 72.43 110.61 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.575 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 23.1 m-85 -72.0 -36.29 69.7 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.767 0.427 . . . . 75.43 110.79 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -65.38 -40.82 93.99 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.673 0.789 . . . . 72.23 109.858 174.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -54.37 -52.18 62.44 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 114.752 -1.113 . . . . 74.14 110.185 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 30.0 mt -77.76 -23.83 49.14 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 115.317 -0.856 . . . . 74.3 111.449 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -56.16 -38.67 71.2 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.406 1.082 . . . . 73.34 112.406 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -23.79 66.14 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.798 0.666 . . . . 62.32 112.798 -174.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 4.8 ptm85 -101.71 -22.47 14.41 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 110.238 -0.282 . . . . 63.54 110.238 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.18 31.01 69.16 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.613 0.57 . . . . 72.14 113.452 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -70.63 150.26 46.2 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 109.222 -0.659 . . . . 70.11 109.222 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 55' ' ' ARG . 10.7 pt-20 -70.66 120.18 15.9 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.475 0.655 . . . . 71.23 111.414 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.7 mt -98.54 111.26 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 114.725 -1.125 . . . . 71.25 108.626 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.51 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 79.1 t -100.76 103.27 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 108.53 -0.915 . . . . 71.45 108.53 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.1 t -94.61 110.74 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 108.627 -0.879 . . . . 74.42 108.627 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 69.7 tt0 -115.32 105.03 12.39 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.975 -0.75 . . . . 75.13 108.975 -173.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -93.63 106.34 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.305 0.642 . . . . 72.45 109.9 -175.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -86.18 121.49 28.85 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.997 0.919 . . . . 63.32 108.836 176.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.435 HG23 ' HG3' ' A' ' 76' ' ' GLU . 10.5 mt -138.51 106.21 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.255 1.022 . . . . 63.33 109.248 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.412 HD22 HG23 ' A' ' 45' ' ' ILE . 28.6 m-80 52.19 31.62 9.4 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.823 1.249 . . . . 54.31 112.891 171.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.56 -19.28 19.4 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.838 -0.619 . . . . 54.41 113.448 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -93.74 109.86 21.51 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.449 0.7 . . . . 70.44 110.148 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -89.92 122.66 33.16 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 108.514 -0.921 . . . . 73.32 108.514 173.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 9.2 t70 -108.62 109.11 20.24 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.585 -0.895 . . . . 70.14 108.585 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -100.39 111.84 24.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.055 0.542 . . . . 60.33 109.842 -170.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.3 mt -114.11 106.8 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.382 1.073 . . . . 74.2 108.296 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -107.61 118.78 37.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.218 0.607 . . . . 55.33 109.7 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG21 HD21 ' A' ' 65' ' ' LEU . 23.1 m -121.82 145.41 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 107.763 -1.199 . . . . 72.33 107.763 170.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 5.9 mtp-105 -104.26 -65.6 1.01 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.405 0.622 . . . . 75.53 109.581 177.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -122.59 110.07 15.09 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.557 -1.275 . . . . 64.15 107.557 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.518 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pp -128.63 152.28 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 124.434 1.094 . . . . 72.21 109.593 -176.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.403 ' H ' ' HB2' ' A' ' 61' ' ' GLU . 28.5 m -77.53 -176.14 4.12 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.191 0.597 . . . . 70.21 110.767 177.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.28 -42.4 88.48 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.088 0.555 . . . . 64.12 109.915 173.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.18 -27.35 66.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.094 0.957 . . . . 73.25 110.533 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' A' ' 58' ' ' SER . 29.0 mm-40 -89.72 -27.87 19.78 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 115.803 -0.635 . . . . 74.4 112.645 -177.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.591 ' HA ' HD23 ' A' ' 65' ' ' LEU . 3.8 pp -70.06 -32.12 70.06 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.541 -0.911 . . . . 54.15 108.541 174.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 24.6 mmmt -52.58 -38.88 60.83 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 114.362 -1.29 . . . . 75.24 111.194 169.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 34.0 mmtp -59.19 -33.44 70.95 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.453 0.471 . . . . 51.13 110.857 -177.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -61.58 -48.65 80.01 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 123.751 0.657 . . . . 75.5 110.616 -177.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD13 ' HB3' ' A' ' 22' ' ' LEU . 3.6 pp -80.57 -20.6 43.02 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.88 -0.6 . . . . 64.24 111.894 -178.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 5.5 mm-40 -75.27 -31.99 60.91 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.846 -0.427 . . . . 72.1 109.846 173.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 12.7 mtp180 -73.04 -36.46 66.93 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 116.309 -0.405 . . . . 61.41 110.633 173.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 66' ' ' LEU . 98.9 mt -58.36 -45.22 89.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 109.456 -0.572 . . . . 52.03 109.456 171.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -54.69 -43.97 72.96 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.698 -1.137 . . . . 64.13 110.573 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HB3' HH21 ' A' ' 75' ' ' ARG . 48.2 mt-10 -54.68 -45.15 73.88 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.237 0.96 . . . . 65.24 110.046 177.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 66.5 mmtt -69.82 -51.27 35.05 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.619 1.2 . . . . 64.04 110.752 -170.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.689 HG22 HG21 ' A' ' 81' ' ' VAL . 2.3 pp -67.01 -30.3 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 115.519 -0.764 . . . . 73.43 111.219 -173.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -79.69 -44.19 21.3 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.977 0.511 . . . . 70.33 111.835 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.499 HH21 ' HB3' ' A' ' 71' ' ' GLU . 19.4 ptp180 -70.12 -26.57 64.02 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.422 0.289 . . . . 73.23 110.964 -176.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HG3' HG23 ' A' ' 45' ' ' ILE . 1.4 tt0 -84.68 -76.58 0.3 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.735 -0.839 . . . . 73.41 108.735 171.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.92 33.34 68.34 Favored Glycine 0 C--N 1.366 2.196 0 O-C-N 123.579 0.549 . . . . 73.12 112.977 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 t -100.63 -68.1 0.83 Allowed 'General case' 0 C--O 1.24 0.56 0 C-N-CA 122.914 0.486 . . . . 62.22 109.99 -173.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.9 t 176.65 -55.93 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.297 0.998 . . . . 73.32 109.955 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -81.16 88.4 6.02 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.027 0.931 . . . . 70.03 111.118 -169.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.689 HG21 HG22 ' A' ' 73' ' ' ILE . 5.2 p -141.63 131.56 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.98 0.912 . . . . 75.23 110.652 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -143.44 126.42 16.33 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.135 0.974 . . . . 72.33 109.516 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.467 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 88.2 t -100.3 114.87 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.346 1.058 . . . . 72.53 109.45 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.477 HD22 ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -103.55 105.84 16.2 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.308 -0.997 . . . . 74.02 108.308 -178.062 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.6 t -95.27 107.46 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 108.583 -0.895 . . . . 61.42 108.583 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.51 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 35.6 m-70 -100.45 124.33 45.83 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 107.522 -1.288 . . . . 62.22 107.522 -177.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.9 t -157.43 111.69 2.65 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.866 -0.42 . . . . 72.31 109.866 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.88 15.83 67.45 Favored Glycine 0 C--N 1.356 1.687 0 O-C-N 124.1 0.875 . . . . 64.43 113.635 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.32 -14.33 43.49 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-O 119.592 -0.56 . . . . 74.13 113.559 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -91.8 126.32 36.85 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 117.5 0.65 . . . . 74.42 110.07 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 84.8 m -113.72 111.39 21.72 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.392 0.677 . . . . 65.13 110.148 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -94.39 115.51 27.72 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.516 -0.92 . . . . 74.0 108.516 173.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.9 p -99.13 126.65 44.93 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.642 0.777 . . . . 71.05 109.779 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.467 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 89.7 m-85 -122.03 107.44 12.22 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.134 0.974 . . . . 72.01 110.684 -173.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -99.02 153.99 18.44 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 108.376 -0.972 . . . . 74.33 108.376 171.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.75 124.88 22.59 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 123.676 0.61 . . . . 71.53 110.57 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.492 -0.766 . . . . 74.3 109.285 176.642 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 109.511 -0.551 . . . . 74.33 109.511 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.68 -155.11 52.15 Favored Glycine 0 C--N 1.355 1.595 0 O-C-N 123.709 0.63 . . . . 25.32 112.357 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -136.9 115.45 11.96 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.502 -0.555 . . . . 73.41 109.502 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -78.79 164.54 24.44 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.907 0.483 . . . . 73.43 110.329 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -88.9 134.64 33.89 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.475 0.71 . . . . 74.02 109.301 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -77.92 128.96 34.74 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.107 0.963 . . . . 73.3 110.455 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -125.76 132.6 52.28 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.284 1.034 . . . . 72.43 109.052 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -146.42 160.36 42.18 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.945 0.898 . . . . 74.14 109.953 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.51 164.25 23.12 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.785 0.834 . . . . 74.23 109.12 172.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -49.64 101.44 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.943 1.297 . . . . 74.33 111.804 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.37 106.08 2.38 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.381 0.672 . . . . 63.31 109.694 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -75.04 88.01 2.38 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.522 0.677 . . . . 73.23 110.867 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -67.34 -28.82 68.29 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 114.548 -1.206 . . . . 73.31 111.371 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.27 98.77 0.06 Allowed 'General case' 0 C--N 1.354 0.788 0 O-C-N 124.231 0.957 . . . . 52.14 110.16 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' A' ' 74' ' ' GLU . 17.6 m -86.81 117.64 25.69 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.447 -0.797 . . . . 74.23 110.06 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -66.04 -29.51 69.88 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.347 1.059 . . . . 65.2 110.701 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.9 ttp -137.77 137.26 38.06 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.812 0.845 . . . . 72.14 108.787 172.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -142.45 -22.66 0.67 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.816 0.846 . . . . 64.2 110.045 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -85.12 91.99 8.26 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.362 0.665 . . . . 73.11 111.051 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -137.69 -63.77 0.57 Allowed 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.663 -1.236 . . . . 74.32 107.663 167.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.48 -20.0 62.13 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.652 174.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.454 ' HB3' HD13 ' A' ' 66' ' ' LEU . 85.9 mt -65.6 -38.14 88.63 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 123.266 0.626 . . . . 71.43 111.231 175.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 33.1 tt0 -61.98 -33.49 74.41 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.616 0.573 . . . . 71.15 110.354 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -62.31 -42.34 99.29 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.162 0.585 . . . . 63.32 110.156 172.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.97 -30.6 67.99 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.519 -0.764 . . . . 75.14 109.522 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -64.71 -47.92 76.56 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.178 0.991 . . . . 74.44 110.237 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.8 mm-40 -64.96 -36.82 85.62 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.226 0.954 . . . . 75.04 110.307 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 40.6 tp -65.06 -52.59 54.89 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.452 -0.794 . . . . 55.42 110.51 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.622 ' HB3' ' HB2' ' A' ' 62' ' ' LEU . 21.0 m-85 -62.48 -34.22 76.42 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.543 0.737 . . . . 70.21 111.135 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.87 -38.65 91.69 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.794 0.838 . . . . 73.32 111.29 174.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 29.2 tt0 -72.52 -24.25 61.12 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.554 0.742 . . . . 45.43 110.499 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 28' ' ' LEU . 82.2 mt -85.96 -32.11 21.73 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 121.515 0.674 . . . . 64.52 110.2 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -59.07 -38.25 78.98 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.638 1.575 . . . . 64.4 111.691 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 12.6 pt-20 -56.37 -27.55 56.45 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 123.931 0.769 . . . . 53.31 112.263 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -116.35 -8.74 11.62 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.403 0.681 . . . . 74.14 111.396 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.67 36.9 93.36 Favored Glycine 0 C--N 1.353 1.473 0 C-N-CA 123.278 0.466 . . . . 74.3 113.819 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 t -68.93 164.37 22.36 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.695 0.798 . . . . 72.41 111.72 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.614 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 8.6 pt-20 -74.96 100.21 4.07 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.778 -0.646 . . . . 71.33 110.647 177.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.9 mt -94.54 110.8 24.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 108.761 -0.829 . . . . 63.34 108.761 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 86' ' ' HIS . 47.2 t -100.59 104.47 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 107.86 -1.163 . . . . 71.45 107.86 176.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.9 t -91.73 128.11 43.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 108.708 -0.849 . . . . 41.41 108.708 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 50' ' ' ASP . 88.6 tt0 -138.78 114.4 9.83 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.343 1.057 . . . . 75.44 108.264 -170.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' A' ' 50' ' ' ASP . 41.6 t -107.98 141.02 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 109.004 -0.739 . . . . 62.52 109.004 177.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . 88.3 m-70 -129.6 112.29 13.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 107.467 -1.309 . . . . 73.22 107.467 173.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.546 HG12 ' HA ' ' A' ' 81' ' ' VAL . 56.9 mt -137.52 117.52 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 117.955 0.343 . . . . 64.33 110.089 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 71.0 2.44 4.23 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.307 1.443 . . . . 65.02 113.419 172.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.03 -20.09 9.28 Favored Glycine 0 C--N 1.343 0.951 0 N-CA-C 111.794 -0.522 . . . . 53.41 111.794 -172.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -78.92 137.76 37.78 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.535 0.734 . . . . 74.33 109.196 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -121.24 153.18 37.97 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.402 0.62 . . . . 74.41 110.482 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 25.1 t0 -132.12 137.56 47.74 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.482 1.513 . . . . 64.13 106.98 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -143.19 119.12 10.61 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.736 -0.468 . . . . 74.23 109.736 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.5 mt -136.7 123.45 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 107.219 -1.4 . . . . 73.13 107.219 -176.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG3' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -115.9 119.47 36.05 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.435 -0.95 . . . . 63.01 108.435 179.694 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -122.82 139.5 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.673 0.789 . . . . 73.21 110.025 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.614 ' HG2' ' HB3' ' A' ' 38' ' ' GLU . 64.1 mtt180 -127.51 134.33 49.79 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.23 1.012 . . . . 72.51 108.725 174.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER 54.53 67.47 1.01 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.446 1.098 . . . . 74.22 111.233 177.391 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.617 HD13 ' HB3' ' A' ' 62' ' ' LEU . 1.9 pp -107.57 157.79 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 115.54 -0.755 . . . . 74.53 110.55 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.3 m -104.87 -175.57 2.83 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.498 0.719 . . . . 75.22 110.556 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -66.39 -33.35 75.51 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 114.08 1.141 . . . . 64.1 114.08 -166.649 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -87.05 -29.54 21.84 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 122.248 -0.283 . . . . 72.12 110.697 178.094 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.66 -42.85 85.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.787 -0.642 . . . . 44.21 111.11 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.645 ' HA ' HD23 ' A' ' 65' ' ' LEU . 4.6 pp -66.25 -29.16 69.34 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.759 0.424 . . . . 74.33 110.922 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HD2' HD21 ' A' ' 66' ' ' LEU . 10.1 mmmm -59.72 -33.41 71.59 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.193 -0.912 . . . . 64.43 110.962 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -66.21 -25.62 67.01 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.25 0.344 . . . . 73.11 110.638 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 62' ' ' LEU . 4.1 mm? -68.3 -51.37 45.58 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.687 0.617 . . . . 62.11 110.483 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.49 HD21 ' HD2' ' A' ' 63' ' ' LYS . 3.8 pp -69.7 -26.01 64.15 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.625 0.25 . . . . 73.14 110.715 177.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 43.7 mt-10 -75.31 -22.67 57.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.37 0.668 . . . . 71.22 111.603 176.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -74.48 -41.25 61.07 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.0 0.52 . . . . 73.53 109.744 170.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.24 -42.48 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.069 0.948 . . . . 74.55 110.687 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 5.7 ppt_? -60.62 -35.88 77.23 Favored 'General case' 0 C--N 1.361 1.096 0 CA-C-N 115.717 -0.674 . . . . 61.44 111.09 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.35 -43.19 99.41 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.329 1.018 . . . . 72.34 109.542 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -64.91 -50.2 67.45 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 123.336 0.397 . . . . 73.33 110.255 -176.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.0 pt -68.55 -31.81 52.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 115.66 -0.7 . . . . 71.02 111.74 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.414 ' HB2' ' OG ' ' A' ' 15' ' ' SER . 6.2 pt-20 -87.93 -28.21 21.65 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.106 0.78 . . . . 74.03 113.106 -177.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.6 mtp-105 -77.33 -43.21 33.83 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 110.23 -0.285 . . . . 74.41 110.23 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -73.48 -54.32 8.53 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 109.403 -0.591 . . . . 62.51 109.403 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.52 25.73 61.18 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 124.212 0.945 . . . . 73.53 114.301 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.7 t -101.45 175.72 5.48 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.616 0.766 . . . . 35.32 110.301 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.8 m -73.7 -26.95 60.96 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.611 0.764 . . . . 72.12 112.082 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 4.8 mp0 -79.93 58.49 2.91 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.156 0.983 . . . . 72.31 112.632 -172.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.546 ' HA ' HG12 ' A' ' 45' ' ' ILE . 95.1 t -99.77 129.53 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.843 -0.536 . . . . 71.04 111.2 -175.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 35.4 tt0 -140.32 126.6 19.91 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.475 -0.935 . . . . 71.44 108.475 174.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 94' ' ' PHE . 59.2 t -115.39 143.42 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 107.801 -1.185 . . . . 52.33 107.801 173.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.506 HD21 HG22 ' A' ' 93' ' ' THR . 5.8 t-20 -143.82 113.87 7.3 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.777 -0.453 . . . . 72.13 109.777 -173.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.6 t -111.81 110.86 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.437 -0.579 . . . . 62.12 109.437 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.535 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 30.3 m-70 -94.49 150.24 20.45 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.676 -1.231 . . . . 74.41 107.676 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 37.7 p -160.46 104.12 1.42 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 122.598 0.359 . . . . 73.1 110.056 173.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 65.7 -85.9 0.09 OUTLIER Glycine 0 C--N 1.345 1.083 0 O-C-N 123.564 0.54 . . . . 72.21 112.294 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.29 4.44 5.23 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-O 119.602 -0.555 . . . . 74.14 113.637 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -114.78 123.95 50.53 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 117.865 0.833 . . . . 64.54 110.277 177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.3 m -122.39 134.45 54.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.911 0.885 . . . . 74.43 109.312 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.5 m-90 -111.43 116.55 31.11 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.137 0.975 . . . . 75.01 108.947 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.506 HG22 HD21 ' A' ' 84' ' ' ASN . 40.2 p -93.32 103.18 15.44 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.778 0.831 . . . . 73.3 109.263 176.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.414 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 77.5 m-85 -91.35 108.61 20.01 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.27 -1.011 . . . . 74.22 108.27 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -100.43 148.22 24.98 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.443 0.697 . . . . 65.41 109.754 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.02 135.36 57.5 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.995 0.809 . . . . 75.51 110.378 173.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt . . . . . 0 CA--C 1.555 1.162 0 CA-C-O 118.705 -0.664 . . . . 72.42 109.6 -171.891 . . . . . . . . 0 0 . 1 stop_ save_