data_1ohn_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1ohn _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.64 -50.65 64.21 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.802 -1.186 . . . . 0.0 111.726 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.0 mm -61.87 -34.56 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 123.473 0.709 . . . . 0.0 110.899 173.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.98 -54.45 36.77 Favored Glycine 0 CA--C 1.541 1.681 0 CA-C-N 120.127 1.33 . . . . 0.0 113.709 170.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -59.43 -44.19 92.96 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.749 0.819 . . . . 0.0 112.789 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 mt -53.98 -58.05 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 126.279 1.832 . . . . 0.0 110.95 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -38.78 96.27 Favored Glycine 0 CA--C 1.536 1.346 0 CA-C-N 118.477 0.581 . . . . 0.0 113.635 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.44 -52.09 67.1 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.405 1.082 . . . . 0.0 112.826 173.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -76.12 -22.52 55.41 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.87 -50.47 73.23 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.582 0.706 . . . . 0.0 111.572 166.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.33 98.55 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.074 -1.017 . . . . 0.0 111.984 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.085 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -174.302 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.7 m . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.36 97.04 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.337 -0.852 . . . . 0.0 111.224 170.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.62 -36.69 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.861 0.864 . . . . 0.0 111.81 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.82 -52.0 55.75 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.389 0.995 . . . . 0.0 112.869 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -58.56 -49.71 76.44 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.864 0.866 . . . . 0.0 112.035 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.9 mt -56.54 -56.68 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.847 1.259 . . . . 0.0 110.211 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.6 95.8 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.299 0.952 . . . . 0.0 114.332 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.11 -57.7 11.67 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.259 1.023 . . . . 0.0 112.673 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.93 -24.87 59.73 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.32 -50.24 73.74 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.155 0.889 . . . . 0.0 110.567 167.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.69 -27.64 69.06 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.434 1.094 . . . . 0.0 113.027 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.621 0 C-N-CA 123.977 0.911 . . . . 0.0 112.598 173.753 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.12 82.87 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.901 -1.124 . . . . 0.0 112.285 170.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 mt -56.65 -42.42 76.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.511 0.724 . . . . 0.0 110.472 168.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.69 -52.24 54.22 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 121.646 0.581 . . . . 0.0 112.554 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -54.65 -47.78 73.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.537 1.535 . . . . 0.0 113.186 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.35 -50.61 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 126.595 1.958 . . . . 0.0 110.981 173.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.35 -46.33 94.5 Favored Glycine 0 CA--C 1.544 1.899 0 C-N-CA 124.246 0.927 . . . . 0.0 113.55 177.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -58.79 -40.55 84.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.745 0.818 . . . . 0.0 111.934 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -73.22 -37.84 66.26 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.579 -1.326 . . . . 0.0 113.46 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.4 -47.5 78.86 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.996 -0.44 . . . . 0.0 111.04 167.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.47 -22.57 66.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.017 0.927 . . . . 0.0 113.484 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.978 0 CA-C-N 119.522 1.055 . . . . 0.0 112.173 175.357 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.39 53.72 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.741 1.216 . . . . 0.0 110.681 172.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.9 pt -63.85 -28.81 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 119.026 0.83 . . . . 0.0 112.063 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.25 -52.08 49.91 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.1 1.334 . . . . 0.0 112.928 171.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -58.75 -45.77 88.94 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 125.315 1.446 . . . . 0.0 112.384 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -52.75 58.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 124.862 1.265 . . . . 0.0 110.637 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.77 -40.39 98.07 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.052 1.311 . . . . 0.0 114.176 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -57.39 -48.72 78.34 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.294 1.037 . . . . 0.0 111.635 170.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -71.71 -28.62 63.82 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.83 75.02 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.501 1.046 . . . . 0.0 111.167 163.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.82 -34.37 77.16 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 115.103 1.52 . . . . 0.0 115.103 -179.289 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.5 p . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.21 86.58 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 121.173 -0.955 . . . . 0.0 110.744 170.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.2 mm -67.34 -38.5 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 124.22 1.008 . . . . 0.0 110.914 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.49 -47.08 92.63 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.386 -0.821 . . . . 0.0 112.91 169.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -59.04 -42.34 90.0 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.017 0.927 . . . . 0.0 113.031 174.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.1 mt -54.91 -52.93 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.545 1.538 . . . . 0.0 110.07 172.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.21 -49.78 74.81 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.524 1.059 . . . . 0.0 112.918 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -66.48 -43.49 85.25 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.568 -0.96 . . . . 0.0 112.697 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -77.81 -28.35 50.29 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.789 -1.194 . . . . 0.0 113.366 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.53 93.05 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.621 0.646 . . . . 0.0 111.605 163.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.39 -25.92 68.51 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.457 1.026 . . . . 0.0 113.215 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.009 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 178.187 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.237 0.399 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.62 88.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.907 0.883 . . . . 0.0 111.102 169.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.7 mm -58.05 -41.68 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.045 0.938 . . . . 0.0 111.822 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.55 -47.41 88.47 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 123.994 0.807 . . . . 0.0 112.612 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -62.84 -44.19 96.78 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.702 -0.881 . . . . 0.0 113.303 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.55 -43.5 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 123.426 0.69 . . . . 0.0 110.932 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.26 -42.52 99.8 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.93 1.252 . . . . 0.0 112.452 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -60.7 -44.64 96.3 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.231 -1.158 . . . . 0.0 112.63 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -75.64 -26.11 57.44 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.085 -1.009 . . . . 0.0 113.402 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -52.49 65.33 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.508 1.049 . . . . 0.0 110.052 163.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.97 -32.14 72.55 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 121.452 -0.78 . . . . 0.0 112.588 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.929 0 C-N-CA 124.008 0.923 . . . . 0.0 113.395 178.521 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.42 47.15 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 120.856 -1.152 . . . . 0.0 110.524 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.7 pt -62.85 -26.76 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 CA-C-N 118.465 0.575 . . . . 0.0 112.484 175.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.02 -49.35 58.79 Favored Glycine 0 CA--C 1.536 1.381 0 O-C-N 120.788 -1.195 . . . . 0.0 112.563 169.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.85 -43.28 98.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.574 1.55 . . . . 0.0 112.579 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.8 mt -58.59 -49.64 81.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 124.065 0.946 . . . . 0.0 110.057 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.9 -48.05 75.33 Favored Glycine 0 N--CA 1.48 1.593 0 C-N-CA 124.647 1.117 . . . . 0.0 112.935 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -55.91 -50.24 71.23 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.119 1.367 . . . . 0.0 112.319 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -68.37 -32.61 72.81 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.203 1.401 . . . . 0.0 113.625 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.64 99.59 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 120.945 -1.097 . . . . 0.0 111.422 167.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.31 68.2 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 172.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.45 0 O-C-N 121.06 -1.025 . . . . 0.0 112.682 -176.711 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -52.97 55.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.545 0.738 . . . . 0.0 110.633 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 pt -67.52 -25.79 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 O-C-N 121.561 -0.712 . . . . 0.0 112.688 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.75 -44.27 57.13 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 119.224 0.92 . . . . 0.0 111.836 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.92 -43.1 99.71 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.178 -1.189 . . . . 0.0 111.59 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.7 mt -53.32 -61.01 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.437 1.095 . . . . 0.0 110.924 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.53 -48.77 63.63 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 123.829 0.728 . . . . 0.0 114.023 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.63 -58.71 7.41 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.388 1.075 . . . . 0.0 111.309 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -75.09 -25.57 58.64 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.47 -54.05 48.71 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 120.178 1.354 . . . . 0.0 110.791 164.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.72 71.82 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.298 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -177.669 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--O 1.237 0.423 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.64 78.59 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.377 0.989 . . . . 0.0 110.529 171.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.9 mm -58.57 -39.39 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 123.915 0.886 . . . . 0.0 111.375 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.75 -45.35 92.98 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 119.34 0.973 . . . . 0.0 112.052 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -61.82 -47.04 86.89 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.354 1.462 . . . . 0.0 111.8 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.8 mt -53.67 -52.41 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.272 1.029 . . . . 0.0 111.333 170.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.34 -41.94 97.16 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.285 0.945 . . . . 0.0 113.733 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -59.14 -45.31 91.29 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.312 1.445 . . . . 0.0 112.743 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -76.7 -31.02 56.94 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.045 0.838 . . . . 0.0 112.194 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.91 -45.89 85.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.163 0.985 . . . . 0.0 112.036 167.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -29.74 70.09 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.569 1.147 . . . . 0.0 113.545 172.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.618 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.691 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.55 91.59 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.82 -0.55 . . . . 0.0 112.415 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.9 mm -62.13 -42.24 94.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 124.039 0.936 . . . . 0.0 110.594 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.5 -47.31 90.62 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.014 0.816 . . . . 0.0 113.681 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -61.61 -42.34 98.73 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.295 1.038 . . . . 0.0 112.343 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.9 mt -57.51 -45.47 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.692 1.597 . . . . 0.0 111.425 171.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.65 95.68 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.134 0.874 . . . . 0.0 112.418 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.87 -38.57 86.04 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.472 1.109 . . . . 0.0 112.246 174.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -73.99 -35.11 64.41 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.27 87.01 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.194 -1.566 . . . . 0.0 110.878 165.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.69 -29.49 68.78 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -174.776 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -114.88 7.26 15.65 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 120.73 1.605 . . . . 0.0 114.39 -166.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -76.21 -16.82 59.76 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -157.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.73 -155.45 7.7 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 116.739 1.456 . . . . 0.0 116.739 -165.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -52.45 -64.95 0.65 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.042 1.737 . . . . 0.0 114.859 -166.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -123.64 -0.78 9.21 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 115.15 0.82 . . . . 0.0 115.15 -168.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.6 p -59.4 -53.23 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 127.013 2.125 . . . . 0.0 114.351 -166.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.43 97.01 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 129.812 3.245 . . . . 0.0 110.504 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.1 t -138.27 88.64 2.33 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.248 -0.907 . . . . 0.0 112.354 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.79 84.39 1.41 Allowed Glycine 0 N--CA 1.478 1.469 0 C-N-CA 127.993 2.711 . . . . 0.0 113.415 1.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 61.55 9.92 2.98 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 127.98 2.512 . . . . 0.0 115.014 175.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 64.07 -23.85 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 129.327 3.051 . . . . 0.0 115.272 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.8 p -75.71 -10.02 59.09 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.882 2.473 . . . . 0.0 113.439 167.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 m 59.62 78.78 0.25 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.775 2.03 . . . . 0.0 112.014 -173.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -55.69 -1.34 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 129.982 3.313 . . . . 0.0 118.804 -154.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.9 t 65.58 152.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 128.783 2.833 . . . . 0.0 112.091 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -61.01 -13.46 16.54 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 119.544 -1.973 . . . . 0.0 115.818 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 -6.25 59.28 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.872 2.069 . . . . 0.0 115.096 172.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -27.24 -73.37 0.03 OUTLIER Glycine 0 CA--C 1.535 1.313 0 C-N-CA 128.495 2.95 . . . . 0.0 117.093 -164.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 t -66.96 -30.28 70.36 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -173.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.64 -50.65 64.21 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.802 -1.186 . . . . 0.0 111.726 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.0 mm -61.87 -34.56 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 123.473 0.709 . . . . 0.0 110.899 173.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.98 -54.45 36.77 Favored Glycine 0 CA--C 1.541 1.681 0 CA-C-N 120.127 1.33 . . . . 0.0 113.709 170.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -59.43 -44.19 92.96 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.749 0.819 . . . . 0.0 112.789 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 mt -53.98 -58.05 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 126.279 1.832 . . . . 0.0 110.95 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -38.78 96.27 Favored Glycine 0 CA--C 1.536 1.346 0 CA-C-N 118.477 0.581 . . . . 0.0 113.635 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.44 -52.09 67.1 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.405 1.082 . . . . 0.0 112.826 173.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -76.12 -22.52 55.41 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.87 -50.47 73.23 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.582 0.706 . . . . 0.0 111.572 166.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.33 98.55 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.074 -1.017 . . . . 0.0 111.984 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.04 -40.69 52.81 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -174.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -128.29 -18.16 4.11 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 117.514 -1.232 . . . . 0.0 114.054 -162.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -5.02 21.68 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 122.659 2.481 . . . . 0.0 114.686 -175.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.1 -30.78 62.54 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 119.442 1.019 . . . . 0.0 112.389 163.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -83.47 -3.89 58.01 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.084 1.354 . . . . 0.0 113.795 174.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.95 9.08 85.82 Favored Glycine 0 CA--C 1.539 1.548 0 O-C-N 121.215 -0.928 . . . . 0.0 115.149 -163.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.45 44.68 6.82 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.195 1.379 . . . . 0.0 113.228 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -57.17 -34.23 68.25 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.834 1.653 . . . . 0.0 113.827 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.74 -51.27 3.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.868 1.267 . . . . 0.0 111.461 165.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.35 -176.7 40.42 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.808 1.194 . . . . 0.0 114.7 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -71.96 -176.25 1.67 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.833 1.653 . . . . 0.0 113.003 167.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -35.44 101.21 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.424 2.289 . . . . 0.0 114.993 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 125.271 1.428 . . . . 0.0 114.095 -174.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -40.46 25.67 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.055 2.542 . . . . 0.0 112.859 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -172.24 128.32 0.57 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 129.376 3.07 . . . . 0.0 106.824 -170.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.74 161.8 38.77 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-O 122.053 0.807 . . . . 0.0 115.034 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -65.28 -27.92 68.97 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.381 0.673 . . . . 0.0 112.324 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.73 48.17 0.97 Allowed Glycine 0 C--N 1.349 1.254 0 C-N-CA 127.102 2.287 . . . . 0.0 111.348 166.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t 66.99 -36.69 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 130.195 3.398 . . . . 0.0 114.29 -174.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -134.19 1.74 3.25 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -170.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.2 m -111.98 138.51 48.52 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.579 1.536 . . . . 0.0 110.503 -168.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.47 -72.02 0.64 Allowed Glycine 0 N--CA 1.47 0.915 0 C-N-CA 126.197 1.856 . . . . 0.0 111.358 172.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -126.86 -18.25 4.73 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 117.036 -1.459 . . . . 0.0 114.501 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -163.07 -29.53 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -107.28 102.55 11.85 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.988 -1.07 . . . . 0.0 111.239 -169.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -75.96 46.8 0.4 Allowed 'General case' 0 CA--C 1.55 0.955 0 O-C-N 120.793 -1.192 . . . . 0.0 113.795 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.5 p -136.32 79.7 1.78 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 127.916 2.486 . . . . 0.0 108.663 166.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.28 0.2 OUTLIER 35.83 35.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 129.242 3.017 . . . . 0.0 115.832 -167.098 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 47.64 -13.79 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 130.134 3.373 . . . . 0.0 118.313 -169.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.88 3.92 31.72 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 126.997 2.119 . . . . 0.0 115.054 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.06 -32.59 35.44 Favored Glycine 0 CA--C 1.541 1.701 0 N-CA-C 116.82 1.488 . . . . 0.0 116.82 -161.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.7 m -74.17 -39.0 63.51 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.589 1.194 . . . . 0.0 112.781 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.36 97.04 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.337 -0.852 . . . . 0.0 111.224 170.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.62 -36.69 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.861 0.864 . . . . 0.0 111.81 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.82 -52.0 55.75 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.389 0.995 . . . . 0.0 112.869 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -58.56 -49.71 76.44 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.864 0.866 . . . . 0.0 112.035 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.9 mt -56.54 -56.68 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.847 1.259 . . . . 0.0 110.211 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.6 95.8 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.299 0.952 . . . . 0.0 114.332 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.11 -57.7 11.67 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.259 1.023 . . . . 0.0 112.673 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.93 -24.87 59.73 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.32 -50.24 73.74 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.155 0.889 . . . . 0.0 110.567 167.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.69 -27.64 69.06 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.434 1.094 . . . . 0.0 113.027 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.14 83.5 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.977 0.911 . . . . 0.0 112.598 173.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -153.53 -29.26 0.13 Allowed 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 117.128 2.27 . . . . 0.0 117.128 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -33.97 60.54 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.44 1.473 . . . . 0.0 113.224 -165.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.57 -11.21 52.03 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t -125.09 3.25 7.95 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.832 2.053 . . . . 0.0 113.32 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.07 -13.63 76.83 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.19 1.376 . . . . 0.0 115.984 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.49 176.11 37.34 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 118.791 1.296 . . . . 0.0 113.65 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -67.55 158.36 32.18 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.435 1.094 . . . . 0.0 112.54 170.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 55.8 -78.33 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.918 2.087 . . . . 0.0 114.8 -174.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.69 -159.6 53.84 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 125.313 1.435 . . . . 0.0 115.101 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -53.58 135.28 40.62 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.433 2.293 . . . . 0.0 112.053 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -54.77 154.27 5.25 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.485 1.114 . . . . 0.0 112.067 167.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp . . . . . 0 C--O 1.255 1.379 0 C-N-CA 126.74 2.016 . . . . 0.0 112.941 -174.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.9 tttt . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 120.312 0.101 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -65.19 -20.37 66.41 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -164.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -149.32 177.59 9.53 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.123 1.769 . . . . 0.0 112.276 -171.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.0 -4.56 16.32 Favored Glycine 0 N--CA 1.483 1.823 0 O-C-N 120.528 -1.357 . . . . 0.0 115.773 -161.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -104.82 -104.12 0.31 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 120.609 2.204 . . . . 0.0 111.703 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.88 9.68 60.16 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.753 1.168 . . . . 0.0 115.285 -170.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 p -71.62 -21.7 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 126.332 1.853 . . . . 0.0 115.57 -172.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -72.74 169.72 16.1 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -154.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 t 69.1 -172.94 0.18 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.649 2.38 . . . . 0.0 114.82 174.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.35 -88.47 0.13 Allowed Glycine 0 CA--C 1.538 1.475 0 C-N-CA 126.925 2.202 . . . . 0.0 109.969 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -78.76 62.66 3.33 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.216 1.806 . . . . 0.0 111.555 169.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 47.66 -2.48 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 130.938 3.695 . . . . 0.0 119.911 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -82.67 63.89 7.03 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.228 2.211 . . . . 0.0 111.296 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.2 m -79.07 147.51 32.77 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.288 0.635 . . . . 0.0 112.252 -172.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 t -158.53 176.11 12.82 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.712 1.605 . . . . 0.0 111.154 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.2 t -147.19 151.24 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 127.199 2.2 . . . . 0.0 109.259 168.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -74.93 70.24 1.96 Allowed 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 119.347 0.976 . . . . 0.0 112.205 170.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -146.5 23.23 1.29 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -165.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.88 -29.75 27.73 Favored Glycine 0 N--CA 1.479 1.544 0 O-C-N 119.914 -1.741 . . . . 0.0 116.696 -171.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.2 m -68.12 -37.96 81.69 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 120.642 -1.505 . . . . 0.0 113.365 171.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.12 82.87 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.901 -1.124 . . . . 0.0 112.285 170.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 mt -56.65 -42.42 76.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.511 0.724 . . . . 0.0 110.472 168.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.69 -52.24 54.22 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 121.646 0.581 . . . . 0.0 112.554 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -54.65 -47.78 73.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.537 1.535 . . . . 0.0 113.186 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.35 -50.61 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 126.595 1.958 . . . . 0.0 110.981 173.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.35 -46.33 94.5 Favored Glycine 0 CA--C 1.544 1.899 0 C-N-CA 124.246 0.927 . . . . 0.0 113.55 177.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -58.79 -40.55 84.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.745 0.818 . . . . 0.0 111.934 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -73.22 -37.84 66.26 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.579 -1.326 . . . . 0.0 113.46 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.4 -47.5 78.86 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.996 -0.44 . . . . 0.0 111.04 167.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.47 -22.57 66.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.017 0.927 . . . . 0.0 113.484 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.81 -64.77 0.82 Allowed 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 119.522 1.055 . . . . 0.0 112.173 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -144.92 -0.33 0.91 Allowed 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.0 m-90 -131.85 49.79 2.29 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.778 1.172 . . . . 0.0 113.883 -166.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.58 -25.24 67.2 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.709 1.204 . . . . 0.0 114.213 -169.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 t -68.21 -17.81 64.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.004 1.322 . . . . 0.0 113.677 173.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.73 179.39 45.12 Favored Glycine 0 CA--C 1.543 1.842 0 C-N-CA 126.152 1.834 . . . . 0.0 113.957 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.64 15.9 67.04 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 116.361 1.304 . . . . 0.0 116.361 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -144.98 166.48 25.17 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 118.464 1.132 . . . . 0.0 113.031 -174.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 62.75 177.31 0.14 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.264 2.625 . . . . 0.0 114.994 -173.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.12 68.11 0.22 Allowed Glycine 0 C--N 1.345 1.06 0 C-N-CA 125.185 1.374 . . . . 0.0 112.446 -170.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -35.17 64.49 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -148.2 23.55 1.05 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.454 1.501 . . . . 0.0 114.062 170.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt . . . . . 0 C--O 1.255 1.379 0 C-N-CA 127.045 2.138 . . . . 0.0 111.202 -172.458 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 119.705 -0.188 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -68.78 149.23 49.24 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.734 0.814 . . . . 0.0 112.987 -172.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -132.61 -14.09 2.88 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 -171.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.22 15.48 46.95 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 125.101 1.334 . . . . 0.0 114.197 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 41.07 39.58 0.9 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.911 2.484 . . . . 0.0 112.49 -167.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 166.37 -8.4 0.06 OUTLIER Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.815 1.674 . . . . 0.0 115.072 -172.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 m -64.45 168.21 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 120.172 1.986 . . . . 0.0 110.525 164.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -154.66 83.76 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.769 0.827 . . . . 0.0 112.01 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.3 m -63.57 -29.12 70.42 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.89 -99.59 0.09 OUTLIER Glycine 0 CA--C 1.542 1.773 0 O-C-N 120.203 -1.561 . . . . 0.0 111.88 -169.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -88.11 -68.1 0.78 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.99 1.716 . . . . 0.0 110.466 165.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -144.62 8.56 1.32 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 126.675 1.99 . . . . 0.0 115.049 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -76.43 42.57 0.28 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 129.042 2.937 . . . . 0.0 113.331 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.6 m -63.86 109.61 1.81 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.728 1.611 . . . . 0.0 113.407 -173.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 t -149.37 167.97 24.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.97 1.708 . . . . 0.0 111.392 161.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.93 172.06 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 126.305 1.842 . . . . 0.0 113.58 -160.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -48.97 -19.01 0.34 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.157 2.183 . . . . 0.0 115.113 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -1.79 6.31 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.56 1.944 . . . . 0.0 115.737 174.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -35.71 -52.05 1.1 Allowed Glycine 0 CA--C 1.538 1.531 0 C-N-CA 128.073 2.749 . . . . 0.0 115.586 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.8 p -78.64 -29.65 45.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.89 -1.359 . . . . 0.0 113.059 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.39 53.72 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.741 1.216 . . . . 0.0 110.681 172.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.9 pt -63.85 -28.81 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 119.026 0.83 . . . . 0.0 112.063 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.25 -52.08 49.91 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.1 1.334 . . . . 0.0 112.928 171.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -58.75 -45.77 88.94 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 125.315 1.446 . . . . 0.0 112.384 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -52.75 58.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 124.862 1.265 . . . . 0.0 110.637 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.77 -40.39 98.07 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.052 1.311 . . . . 0.0 114.176 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -57.39 -48.72 78.34 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.294 1.037 . . . . 0.0 111.635 170.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -71.71 -28.62 63.82 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.83 75.02 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.501 1.046 . . . . 0.0 111.167 163.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.82 -34.37 77.16 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.17 -30.94 43.77 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.103 1.52 . . . . 0.0 115.103 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -123.76 -24.58 4.46 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.84 1.792 . . . . 0.0 115.84 -168.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -128.52 -24.55 3.03 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -166.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.9 -8.76 7.7 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.401 1.48 . . . . 0.0 114.293 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.6 p -66.46 -16.62 64.26 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.629 1.972 . . . . 0.0 113.913 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.67 -0.97 7.41 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.717 1.151 . . . . 0.0 114.619 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.74 -172.21 43.3 Favored Glycine 0 CA--C 1.544 1.9 0 C-N-CA 124.758 1.171 . . . . 0.0 114.275 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -128.59 112.57 14.43 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.571 1.548 . . . . 0.0 110.273 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.9 157.3 28.37 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.94 15.89 50.4 Favored Glycine 0 CA--C 1.544 1.855 0 C-N-CA 125.638 1.589 . . . . 0.0 114.539 171.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -134.65 169.9 16.62 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.876 1.67 . . . . 0.0 114.225 -165.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -62.12 163.09 8.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 130.032 3.333 . . . . 0.0 114.239 -6.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.3 pttt . . . . . 0 C--O 1.248 1.017 0 C-N-CA 125.982 1.713 . . . . 0.0 113.211 176.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 42.5 tptt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 119.283 -0.389 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.77 40.0 0.58 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.226 1.41 . . . . 0.0 112.697 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -63.53 -42.7 98.42 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.395 -1.441 . . . . 0.0 113.18 -167.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.46 35.9 1.36 Allowed Glycine 0 CA--C 1.539 1.586 0 C-N-CA 127.598 2.523 . . . . 0.0 113.547 171.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.7 t30 63.92 -53.04 0.25 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 129.374 3.069 . . . . 0.0 115.588 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.39 2.27 14.08 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 116.949 1.54 . . . . 0.0 116.949 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.1 m -73.76 168.37 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.974 1.31 . . . . 0.0 113.331 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -150.35 93.7 2.02 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.423 1.089 . . . . 0.0 112.331 -163.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.5 m -130.9 172.89 11.52 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.19 176.48 43.24 Favored Glycine 0 CA--C 1.546 2.021 0 C-N-CA 126.818 2.151 . . . . 0.0 111.475 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -64.89 -18.28 65.05 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -171.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -91.78 -88.67 0.19 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.942 1.297 . . . . 0.0 112.993 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -147.84 123.01 10.18 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.691 1.596 . . . . 0.0 109.96 -169.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -142.43 -176.77 4.97 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.379 1.872 . . . . 0.0 113.673 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -141.34 151.77 43.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.792 1.637 . . . . 0.0 110.193 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.54 155.95 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.121 0.968 . . . . 0.0 112.771 -155.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -81.79 62.86 5.79 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.361 1.064 . . . . 0.0 111.561 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -131.23 4.12 4.36 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -167.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.29 -32.7 51.71 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.64 1.114 . . . . 0.0 115.033 -166.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.5 p -73.41 -33.48 64.99 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.856 1.262 . . . . 0.0 114.365 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.21 86.58 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 121.173 -0.955 . . . . 0.0 110.744 170.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.2 mm -67.34 -38.5 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 124.22 1.008 . . . . 0.0 110.914 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.49 -47.08 92.63 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.386 -0.821 . . . . 0.0 112.91 169.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -59.04 -42.34 90.0 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.017 0.927 . . . . 0.0 113.031 174.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.1 mt -54.91 -52.93 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.545 1.538 . . . . 0.0 110.07 172.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.21 -49.78 74.81 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.524 1.059 . . . . 0.0 112.918 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -66.48 -43.49 85.25 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.568 -0.96 . . . . 0.0 112.697 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -77.81 -28.35 50.29 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.789 -1.194 . . . . 0.0 113.366 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.53 93.05 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.621 0.646 . . . . 0.0 111.605 163.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.39 -25.92 68.51 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.457 1.026 . . . . 0.0 113.215 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.59 -33.6 41.5 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -131.96 -12.04 3.32 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 -167.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -134.27 9.67 3.77 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.597 1.559 . . . . 0.0 114.506 -174.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.34 -27.06 21.47 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.244 1.942 . . . . 0.0 116.244 -173.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -70.93 -11.99 61.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.68 1.592 . . . . 0.0 114.546 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.9 52.43 0.3 Allowed Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.89 2.186 . . . . 0.0 111.121 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.71 20.18 1.08 Allowed Glycine 0 CA--C 1.535 1.313 0 C-N-CA 127.017 2.246 . . . . 0.0 116.936 -162.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -76.3 54.15 0.88 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.241 1.817 . . . . 0.0 112.912 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 57.05 -67.99 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 129.426 3.09 . . . . 0.0 116.204 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.58 -51.93 4.65 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.95 1.262 . . . . 0.0 114.845 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -121.86 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 128.231 2.612 . . . . 0.0 114.106 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -74.06 129.64 38.25 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.256 -1.527 . . . . 0.0 112.109 170.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 pttm . . . . . 0 C--O 1.258 1.537 0 C-N-CA 127.062 2.145 . . . . 0.0 112.239 -168.084 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 119.178 -0.439 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -61.52 155.37 22.22 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.649 1.113 . . . . 0.0 113.186 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.34 -49.36 1.0 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.19 1.396 . . . . 0.0 110.85 163.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.03 -176.77 8.34 Favored Glycine 0 CA--C 1.544 1.859 0 C-N-CA 126.736 2.112 . . . . 0.0 111.798 159.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -54.38 -34.11 60.56 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.02 23.75 0.1 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.595 1.093 . . . . 0.0 114.408 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.6 m -62.02 -49.99 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.829 1.651 . . . . 0.0 113.426 -164.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -74.41 98.36 3.27 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.139 0.971 . . . . 0.0 109.208 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.02 163.69 28.68 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 128.165 2.586 . . . . 0.0 112.219 -170.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.13 -21.55 77.09 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 123.981 0.801 . . . . 0.0 114.763 -174.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -70.0 -22.4 63.12 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.249 1.02 . . . . 0.0 113.484 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.5 m80 54.31 -16.35 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 129.169 2.987 . . . . 0.0 118.157 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -70.15 -10.52 59.06 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 121.235 1.834 . . . . 0.0 112.883 164.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 p -75.02 -102.45 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 126.307 1.843 . . . . 0.0 109.846 167.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.2 m 67.53 -28.47 0.14 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 129.054 2.942 . . . . 0.0 116.11 171.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.7 170.86 12.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 125.999 1.719 . . . . 0.0 109.218 171.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -55.73 -12.63 1.34 Allowed 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -7.78 30.9 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.464 1.905 . . . . 0.0 114.919 173.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.51 -42.39 19.38 Favored Glycine 0 CA--C 1.542 1.753 0 C-N-CA 125.846 1.689 . . . . 0.0 115.43 -164.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.2 p -72.02 -33.86 68.39 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.62 88.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.907 0.883 . . . . 0.0 111.102 169.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.7 mm -58.05 -41.68 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.045 0.938 . . . . 0.0 111.822 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.55 -47.41 88.47 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 123.994 0.807 . . . . 0.0 112.612 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -62.84 -44.19 96.78 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.702 -0.881 . . . . 0.0 113.303 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.55 -43.5 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 123.426 0.69 . . . . 0.0 110.932 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.26 -42.52 99.8 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.93 1.252 . . . . 0.0 112.452 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -60.7 -44.64 96.3 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.231 -1.158 . . . . 0.0 112.63 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -75.64 -26.11 57.44 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.085 -1.009 . . . . 0.0 113.402 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . . . -58.19 -52.49 65.33 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.508 1.049 . . . . 0.0 110.052 163.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.97 -32.14 72.55 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 121.452 -0.78 . . . . 0.0 112.588 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.39 -66.14 0.84 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.008 0.923 . . . . 0.0 113.395 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -76.2 -30.08 57.87 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 125.084 1.354 . . . . 0.0 114.14 -169.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.425 ' CE3' ' HA ' ' A' ' 29' ' ' ALA . 5.4 m-90 -90.16 1.41 56.46 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.424 1.09 . . . . 0.0 111.868 170.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.42 -14.03 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 130.52 3.528 . . . . 0.0 117.369 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 t -139.6 -0.17 1.78 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 124.572 1.149 . . . . 0.0 113.084 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.66 -119.38 9.97 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.746 1.165 . . . . 0.0 110.842 -171.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.36 9.88 39.12 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.764 1.173 . . . . 0.0 116.01 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -139.73 150.11 44.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.689 2.396 . . . . 0.0 110.553 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.57 -9.56 54.5 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.22 -167.98 53.97 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.658 1.123 . . . . 0.0 113.391 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -70.07 -5.36 26.23 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -19.44 100.68 0.02 OUTLIER 'General case' 0 C--O 1.248 0.988 0 C-N-CA 129.959 3.304 . . . . 0.0 114.738 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt . . . . . 0 C--O 1.261 1.659 0 C-N-CA 126.845 2.058 . . . . 0.0 114.399 -169.692 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.6 tttt . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 121.703 0.763 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -52.7 -89.18 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 128.244 2.618 . . . . 0.0 117.856 -155.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -144.14 170.18 16.46 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.031 1.333 . . . . 0.0 114.479 -162.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.51 -165.18 52.3 Favored Glycine 0 N--CA 1.478 1.434 0 N-CA-C 115.851 1.1 . . . . 0.0 115.851 160.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -80.9 -70.16 0.55 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.351 0.66 . . . . 0.0 111.0 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.08 -23.79 75.24 Favored Glycine 0 CA--C 1.541 1.684 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 -162.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.2 t -65.1 -37.63 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 118.778 1.289 . . . . 0.0 111.225 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -67.58 94.97 0.45 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.563 1.945 . . . . 0.0 113.971 -171.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.9 t 74.55 -53.87 0.67 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.223 2.609 . . . . 0.0 114.229 168.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.87 -177.44 23.1 Favored Glycine 0 N--CA 1.475 1.256 0 C-N-CA 124.888 1.232 . . . . 0.0 113.621 -173.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt 58.65 -61.11 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 128.321 2.648 . . . . 0.0 114.889 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -116.17 0.62 12.98 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.546 2.338 . . . . 0.0 112.657 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m 57.51 38.84 28.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.533 1.533 . . . . 0.0 113.753 174.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.2 p -65.38 -12.14 49.24 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 117.294 2.331 . . . . 0.0 117.294 -161.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.4 t -142.74 10.66 1.82 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.62 149.14 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.968 1.307 . . . . 0.0 112.628 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.91 -2.44 1.89 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.848 2.059 . . . . 0.0 115.851 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.07 2.2 2.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.091 2.156 . . . . 0.0 115.237 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.81 -45.4 2.84 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 128.298 2.856 . . . . 0.0 116.477 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.8 p -78.48 -30.59 47.4 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.123 -1.221 . . . . 0.0 114.199 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.42 47.15 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 120.856 -1.152 . . . . 0.0 110.524 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.7 pt -62.85 -26.76 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 CA-C-N 118.465 0.575 . . . . 0.0 112.484 175.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.02 -49.35 58.79 Favored Glycine 0 CA--C 1.536 1.381 0 O-C-N 120.788 -1.195 . . . . 0.0 112.563 169.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.85 -43.28 98.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.574 1.55 . . . . 0.0 112.579 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.8 mt -58.59 -49.64 81.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 124.065 0.946 . . . . 0.0 110.057 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.9 -48.05 75.33 Favored Glycine 0 N--CA 1.48 1.593 0 C-N-CA 124.647 1.117 . . . . 0.0 112.935 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -55.91 -50.24 71.23 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.119 1.367 . . . . 0.0 112.319 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -68.37 -32.61 72.81 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.203 1.401 . . . . 0.0 113.625 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.64 99.59 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 120.945 -1.097 . . . . 0.0 111.422 167.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.31 68.2 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 172.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.51 -47.02 18.2 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.06 -1.025 . . . . 0.0 112.682 -176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -147.54 11.71 1.0 Allowed 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -168.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 53.07 40.75 31.72 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.432 1.493 . . . . 0.0 112.49 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.76 30.36 13.44 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.619 1.568 . . . . 0.0 113.705 -176.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.7 p 57.29 16.11 2.93 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 128.46 2.704 . . . . 0.0 113.735 -171.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.53 5.74 25.84 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 127.047 2.261 . . . . 0.0 114.862 -170.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.4 -5.12 48.26 Favored Glycine 0 N--CA 1.479 1.5 0 C-N-CA 125.347 1.451 . . . . 0.0 114.269 -175.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -79.52 -15.97 56.81 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.391 1.476 . . . . 0.0 114.067 -174.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.42 138.56 58.21 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.753 0.821 . . . . 0.0 110.234 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.98 127.45 9.01 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.51 1.052 . . . . 0.0 114.069 -166.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.2 p90 -148.56 -169.31 3.32 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.13 1.772 . . . . 0.0 112.02 169.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -61.86 70.2 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 127.762 2.425 . . . . 0.0 114.239 175.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.4 pttt . . . . . 0 C--O 1.253 1.285 0 C-N-CA 128.081 2.552 . . . . 0.0 113.275 176.834 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 121.196 0.522 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -57.06 -23.8 49.29 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.93 2.492 . . . . 0.0 116.598 -160.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -141.77 -63.36 0.45 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.643 1.977 . . . . 0.0 110.555 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.33 -35.75 3.53 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 125.59 1.567 . . . . 0.0 116.834 164.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -69.3 3.13 2.4 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -170.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.55 -21.89 0.07 OUTLIER Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.53 1.538 . . . . 0.0 114.78 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.45 147.29 30.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 C-N-CA 126.085 1.754 . . . . 0.0 112.168 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 177.28 121.26 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.461 1.904 . . . . 0.0 109.021 -160.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.4 t 53.63 26.7 6.0 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 125.947 1.699 . . . . 0.0 112.622 -166.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.32 -14.76 6.73 Favored Glycine 0 CA--C 1.543 1.839 0 C-N-CA 127.913 2.673 . . . . 0.0 117.147 -166.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.13 -29.23 68.49 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.296 1.048 . . . . 0.0 112.52 170.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -148.4 14.41 0.98 Allowed 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 169.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m 51.88 40.97 29.08 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.473 2.309 . . . . 0.0 113.65 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.9 p -68.79 -7.68 36.3 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -173.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -148.3 177.05 9.75 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.866 1.267 . . . . 0.0 112.445 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.3 t -134.42 147.35 30.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 126.786 2.034 . . . . 0.0 108.388 161.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.7 -9.2 3.61 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 126.003 1.721 . . . . 0.0 115.441 -173.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -68.11 -2.09 7.23 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 127.282 2.233 . . . . 0.0 115.851 175.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.38 -53.37 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 127.25 2.357 . . . . 0.0 116.362 -173.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.3 m -72.7 -33.01 66.19 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -52.97 55.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.545 0.738 . . . . 0.0 110.633 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 pt -67.52 -25.79 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 O-C-N 121.561 -0.712 . . . . 0.0 112.688 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.75 -44.27 57.13 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 119.224 0.92 . . . . 0.0 111.836 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.92 -43.1 99.71 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.178 -1.189 . . . . 0.0 111.59 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.7 mt -53.32 -61.01 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.437 1.095 . . . . 0.0 110.924 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.53 -48.77 63.63 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 123.829 0.728 . . . . 0.0 114.023 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.63 -58.71 7.41 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.388 1.075 . . . . 0.0 111.309 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -75.09 -25.57 58.64 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.47 -54.05 48.71 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 120.178 1.354 . . . . 0.0 110.791 164.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.72 71.82 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.64 -22.24 29.97 Favored 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -133.61 -24.76 1.74 Allowed 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -167.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -86.6 164.65 16.72 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.918 1.235 . . . . 0.0 112.172 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.05 -1.47 20.18 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.45 1.5 . . . . 0.0 114.603 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.4 p 49.19 21.78 0.56 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 129.369 3.068 . . . . 0.0 115.529 -174.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.17 -166.64 42.8 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.859 1.219 . . . . 0.0 113.394 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.28 -17.3 24.04 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.333 0.968 . . . . 0.0 115.436 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -66.3 16.17 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 128.047 2.539 . . . . 0.0 114.685 166.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.63 126.17 5.34 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.655 2.382 . . . . 0.0 114.724 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.42 178.55 41.41 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 126.748 2.118 . . . . 0.0 111.426 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 4.4 p90 -111.57 178.96 4.16 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 129.978 3.311 . . . . 0.0 111.757 0.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -135.76 153.71 51.47 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.648 -1.282 . . . . 0.0 113.146 167.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.432 1.893 . . . . 0.0 112.136 -175.034 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -70.74 161.6 30.57 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -170.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -162.63 -54.47 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.991 2.116 . . . . 0.0 111.232 -168.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.6 177.82 30.12 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.69 1.138 . . . . 0.0 113.407 -171.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 34.37 -90.27 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 130.728 3.611 . . . . 0.0 116.139 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -113.99 3.22 24.17 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 126.295 1.902 . . . . 0.0 116.246 -167.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.7 p -66.75 -20.98 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -71.81 165.13 24.73 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.136 1.774 . . . . 0.0 114.718 -162.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -54.97 164.28 0.85 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.985 1.314 . . . . 0.0 111.788 145.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.9 -176.99 15.34 Favored Glycine 0 N--CA 1.47 0.959 0 N-CA-C 115.288 0.875 . . . . 0.0 115.288 -170.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.29 19.5 ptmt 48.9 -0.5 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 131.469 3.908 . . . . 0.0 120.211 171.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -124.49 -129.6 0.25 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.827 2.451 . . . . 0.0 110.607 173.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 m -119.22 1.04 11.3 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.644 1.978 . . . . 0.0 113.488 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 t -69.11 -32.57 72.06 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.947 1.299 . . . . 0.0 111.856 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -43.45 149.41 0.26 Allowed 'General case' 0 C--O 1.241 0.655 0 C-N-CA 128.517 2.727 . . . . 0.0 114.102 172.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t 81.65 152.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 C-N-CA 129.009 2.923 . . . . 0.0 110.815 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.28 -17.61 30.29 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.619 2.368 . . . . 0.0 115.347 -171.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.85 -0.35 7.1 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.616 1.966 . . . . 0.0 114.756 178.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.79 -34.74 57.13 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.502 1.525 . . . . 0.0 115.317 -161.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 p -71.0 -36.58 72.52 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.673 1.737 . . . . 0.0 113.53 175.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.64 78.59 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.377 0.989 . . . . 0.0 110.529 171.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.9 mm -58.57 -39.39 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 123.915 0.886 . . . . 0.0 111.375 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.75 -45.35 92.98 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 119.34 0.973 . . . . 0.0 112.052 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -61.82 -47.04 86.89 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.354 1.462 . . . . 0.0 111.8 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.8 mt -53.67 -52.41 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.272 1.029 . . . . 0.0 111.333 170.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.34 -41.94 97.16 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.285 0.945 . . . . 0.0 113.733 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -59.14 -45.31 91.29 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.312 1.445 . . . . 0.0 112.743 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -76.7 -31.02 56.94 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.045 0.838 . . . . 0.0 112.194 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.91 -45.89 85.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.163 0.985 . . . . 0.0 112.036 167.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -29.74 70.09 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.569 1.147 . . . . 0.0 113.545 172.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.66 -41.28 38.75 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -131.24 -10.0 3.73 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -162.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -137.32 16.73 2.96 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.147 1.379 . . . . 0.0 114.25 -174.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.57 -8.18 1.81 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.591 1.957 . . . . 0.0 115.431 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.6 p -62.58 -15.97 53.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.612 1.565 . . . . 0.0 114.34 167.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 154.93 2.16 0.12 Allowed Glycine 0 N--CA 1.48 1.578 0 N-CA-C 117.532 1.773 . . . . 0.0 117.532 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.87 6.71 82.74 Favored Glycine 0 N--CA 1.479 1.54 0 CA-C-N 120.27 2.035 . . . . 0.0 115.424 -176.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -137.26 98.73 3.8 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.738 1.615 . . . . 0.0 110.753 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 161.46 11.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.742 2.817 . . . . 0.0 113.179 -1.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 169.7 -175.91 43.72 Favored Glycine 0 N--CA 1.474 1.212 0 C-N-CA 124.768 1.175 . . . . 0.0 112.258 -176.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -88.69 -136.66 0.1 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.525 1.13 . . . . 0.0 113.261 -170.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m120 58.21 161.01 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 128.524 2.73 . . . . 0.0 113.9 -152.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt . . . . . 0 C--O 1.248 1.016 0 C-N-CA 125.098 1.359 . . . . 0.0 113.685 -175.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 40.21 -156.36 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 129.828 3.251 . . . . 0.0 117.915 173.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -134.72 179.5 6.26 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.629 2.372 . . . . 0.0 111.859 -158.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.94 -154.46 52.72 Favored Glycine 0 N--CA 1.479 1.563 0 C-N-CA 124.626 1.108 . . . . 0.0 114.859 167.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.59 -64.52 0.86 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.813 0.845 . . . . 0.0 113.123 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.13 4.7 7.82 Favored Glycine 0 N--CA 1.481 1.674 0 C-N-CA 124.756 1.17 . . . . 0.0 115.747 -162.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.43 -13.69 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 119.242 1.521 . . . . 0.0 113.119 -177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -72.68 0.25 11.22 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.833 2.453 . . . . 0.0 116.034 -176.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.7 m -121.78 168.25 12.05 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.008 -1.682 . . . . 0.0 114.622 -151.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.31 -164.45 11.85 Favored Glycine 0 CA--C 1.549 2.19 0 C-N-CA 128.176 2.798 . . . . 0.0 111.758 162.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.9 -21.95 63.84 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.781 1.632 . . . . 0.0 114.998 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -133.86 -64.17 0.71 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.42 1.888 . . . . 0.0 110.47 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.7 m -58.78 108.87 0.71 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.749 1.62 . . . . 0.0 112.269 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.4 t -147.04 153.86 40.5 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.52 0.934 . . . . 0.0 113.52 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.9 t -153.22 179.56 8.63 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.991 2.116 . . . . 0.0 111.273 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.7 t -132.05 161.67 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 127.601 2.36 . . . . 0.0 109.975 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -72.3 65.7 0.62 Allowed 'General case' 0 CA--C 1.557 1.214 0 O-C-N 120.508 -1.37 . . . . 0.0 111.461 169.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -134.98 5.17 3.3 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.564 1.946 . . . . 0.0 115.575 -171.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.43 -36.11 57.45 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 124.887 1.232 . . . . 0.0 115.478 -164.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p -75.32 -35.3 61.25 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.946 1.298 . . . . 0.0 113.785 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.55 91.59 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.82 -0.55 . . . . 0.0 112.415 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.9 mm -62.13 -42.24 94.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 124.039 0.936 . . . . 0.0 110.594 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.5 -47.31 90.62 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.014 0.816 . . . . 0.0 113.681 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -61.61 -42.34 98.73 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.295 1.038 . . . . 0.0 112.343 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.9 mt -57.51 -45.47 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.692 1.597 . . . . 0.0 111.425 171.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.65 95.68 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.134 0.874 . . . . 0.0 112.418 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.87 -38.57 86.04 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.472 1.109 . . . . 0.0 112.246 174.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -73.99 -35.11 64.41 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.27 87.01 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.194 -1.566 . . . . 0.0 110.878 165.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.69 -29.49 68.78 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.4 -32.73 11.01 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -174.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -133.67 -7.85 2.82 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.279 2.232 . . . . 0.0 112.301 -168.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 71.19 -58.53 0.57 Allowed 'General case' 0 C--N 1.349 0.569 0 C-N-CA 126.874 2.07 . . . . 0.0 115.486 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 46.36 44.65 12.91 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.554 1.542 . . . . 0.0 113.139 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.0 p 61.37 -1.6 0.28 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 130.827 3.651 . . . . 0.0 116.574 -174.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.02 -74.82 1.27 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.945 1.736 . . . . 0.0 111.913 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.71 -1.43 29.94 Favored Glycine 0 CA--C 1.545 1.919 0 C-N-CA 125.567 1.556 . . . . 0.0 116.662 174.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -118.76 61.24 0.79 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.838 1.655 . . . . 0.0 111.08 -168.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 53.58 24.29 4.07 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 -173.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.86 -170.21 38.31 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 126.557 2.027 . . . . 0.0 113.375 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . 0.276 0.2 OUTLIER -125.55 -95.44 0.46 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.29 1.436 . . . . 0.0 111.092 -179.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -60.4 160.52 8.6 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.293 -0.879 . . . . 0.0 111.041 141.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt . . . . . 0 C--O 1.261 1.691 0 C-N-CA 125.828 1.651 . . . . 0.0 112.193 -177.541 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.64 -50.65 64.21 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.802 -1.186 . . . . 0.0 111.726 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.0 mm -61.87 -34.56 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 123.473 0.709 . . . . 0.0 110.899 173.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.98 -54.45 36.77 Favored Glycine 0 CA--C 1.541 1.681 0 CA-C-N 120.127 1.33 . . . . 0.0 113.709 170.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -59.43 -44.19 92.96 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.749 0.819 . . . . 0.0 112.789 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 mt -53.98 -58.05 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 126.279 1.832 . . . . 0.0 110.95 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -38.78 96.27 Favored Glycine 0 CA--C 1.536 1.346 0 CA-C-N 118.477 0.581 . . . . 0.0 113.635 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.44 -52.09 67.1 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.405 1.082 . . . . 0.0 112.826 173.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -76.12 -22.52 55.41 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.87 -50.47 73.23 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.582 0.706 . . . . 0.0 111.572 166.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.33 98.55 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.074 -1.017 . . . . 0.0 111.984 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.085 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -174.302 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.7 m . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.36 97.04 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.337 -0.852 . . . . 0.0 111.224 170.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.62 -36.69 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.861 0.864 . . . . 0.0 111.81 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.82 -52.0 55.75 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.389 0.995 . . . . 0.0 112.869 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -58.56 -49.71 76.44 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.864 0.866 . . . . 0.0 112.035 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.9 mt -56.54 -56.68 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.847 1.259 . . . . 0.0 110.211 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.6 95.8 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.299 0.952 . . . . 0.0 114.332 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.11 -57.7 11.67 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.259 1.023 . . . . 0.0 112.673 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.93 -24.87 59.73 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.32 -50.24 73.74 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.155 0.889 . . . . 0.0 110.567 167.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.69 -27.64 69.06 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.434 1.094 . . . . 0.0 113.027 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.621 0 C-N-CA 123.977 0.911 . . . . 0.0 112.598 173.753 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.12 82.87 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.901 -1.124 . . . . 0.0 112.285 170.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 mt -56.65 -42.42 76.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.511 0.724 . . . . 0.0 110.472 168.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.69 -52.24 54.22 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 121.646 0.581 . . . . 0.0 112.554 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -54.65 -47.78 73.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.537 1.535 . . . . 0.0 113.186 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.35 -50.61 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 126.595 1.958 . . . . 0.0 110.981 173.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.35 -46.33 94.5 Favored Glycine 0 CA--C 1.544 1.899 0 C-N-CA 124.246 0.927 . . . . 0.0 113.55 177.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -58.79 -40.55 84.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.745 0.818 . . . . 0.0 111.934 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -73.22 -37.84 66.26 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.579 -1.326 . . . . 0.0 113.46 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.4 -47.5 78.86 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.996 -0.44 . . . . 0.0 111.04 167.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.47 -22.57 66.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.017 0.927 . . . . 0.0 113.484 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.978 0 CA-C-N 119.522 1.055 . . . . 0.0 112.173 175.357 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.39 53.72 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.741 1.216 . . . . 0.0 110.681 172.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.9 pt -63.85 -28.81 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 119.026 0.83 . . . . 0.0 112.063 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.25 -52.08 49.91 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.1 1.334 . . . . 0.0 112.928 171.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -58.75 -45.77 88.94 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 125.315 1.446 . . . . 0.0 112.384 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -52.75 58.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 124.862 1.265 . . . . 0.0 110.637 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.77 -40.39 98.07 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.052 1.311 . . . . 0.0 114.176 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -57.39 -48.72 78.34 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.294 1.037 . . . . 0.0 111.635 170.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -71.71 -28.62 63.82 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.83 75.02 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.501 1.046 . . . . 0.0 111.167 163.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.82 -34.37 77.16 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 115.103 1.52 . . . . 0.0 115.103 -179.289 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.5 p . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.21 86.58 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 121.173 -0.955 . . . . 0.0 110.744 170.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.2 mm -67.34 -38.5 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 124.22 1.008 . . . . 0.0 110.914 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.49 -47.08 92.63 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.386 -0.821 . . . . 0.0 112.91 169.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -59.04 -42.34 90.0 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.017 0.927 . . . . 0.0 113.031 174.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.1 mt -54.91 -52.93 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.545 1.538 . . . . 0.0 110.07 172.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.21 -49.78 74.81 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.524 1.059 . . . . 0.0 112.918 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -66.48 -43.49 85.25 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.568 -0.96 . . . . 0.0 112.697 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -77.81 -28.35 50.29 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.789 -1.194 . . . . 0.0 113.366 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.53 93.05 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.621 0.646 . . . . 0.0 111.605 163.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.39 -25.92 68.51 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.457 1.026 . . . . 0.0 113.215 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.009 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 178.187 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.237 0.399 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.62 88.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.907 0.883 . . . . 0.0 111.102 169.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.7 mm -58.05 -41.68 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.045 0.938 . . . . 0.0 111.822 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.55 -47.41 88.47 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 123.994 0.807 . . . . 0.0 112.612 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -62.84 -44.19 96.78 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.702 -0.881 . . . . 0.0 113.303 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.55 -43.5 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 123.426 0.69 . . . . 0.0 110.932 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.26 -42.52 99.8 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.93 1.252 . . . . 0.0 112.452 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -60.7 -44.64 96.3 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.231 -1.158 . . . . 0.0 112.63 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -75.64 -26.11 57.44 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.085 -1.009 . . . . 0.0 113.402 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -52.49 65.33 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.508 1.049 . . . . 0.0 110.052 163.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.97 -32.14 72.55 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 121.452 -0.78 . . . . 0.0 112.588 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.929 0 C-N-CA 124.008 0.923 . . . . 0.0 113.395 178.521 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.42 47.15 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 120.856 -1.152 . . . . 0.0 110.524 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.7 pt -62.85 -26.76 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 CA-C-N 118.465 0.575 . . . . 0.0 112.484 175.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.02 -49.35 58.79 Favored Glycine 0 CA--C 1.536 1.381 0 O-C-N 120.788 -1.195 . . . . 0.0 112.563 169.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.85 -43.28 98.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.574 1.55 . . . . 0.0 112.579 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.8 mt -58.59 -49.64 81.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 124.065 0.946 . . . . 0.0 110.057 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.9 -48.05 75.33 Favored Glycine 0 N--CA 1.48 1.593 0 C-N-CA 124.647 1.117 . . . . 0.0 112.935 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -55.91 -50.24 71.23 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.119 1.367 . . . . 0.0 112.319 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -68.37 -32.61 72.81 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.203 1.401 . . . . 0.0 113.625 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.64 99.59 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 120.945 -1.097 . . . . 0.0 111.422 167.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.31 68.2 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 172.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.45 0 O-C-N 121.06 -1.025 . . . . 0.0 112.682 -176.711 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -52.97 55.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.545 0.738 . . . . 0.0 110.633 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 pt -67.52 -25.79 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 O-C-N 121.561 -0.712 . . . . 0.0 112.688 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.75 -44.27 57.13 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 119.224 0.92 . . . . 0.0 111.836 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.92 -43.1 99.71 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.178 -1.189 . . . . 0.0 111.59 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.7 mt -53.32 -61.01 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.437 1.095 . . . . 0.0 110.924 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.53 -48.77 63.63 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 123.829 0.728 . . . . 0.0 114.023 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.63 -58.71 7.41 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.388 1.075 . . . . 0.0 111.309 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -75.09 -25.57 58.64 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.47 -54.05 48.71 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 120.178 1.354 . . . . 0.0 110.791 164.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.72 71.82 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.298 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -177.669 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--O 1.237 0.423 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.64 78.59 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.377 0.989 . . . . 0.0 110.529 171.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.9 mm -58.57 -39.39 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 123.915 0.886 . . . . 0.0 111.375 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.75 -45.35 92.98 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 119.34 0.973 . . . . 0.0 112.052 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -61.82 -47.04 86.89 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.354 1.462 . . . . 0.0 111.8 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.8 mt -53.67 -52.41 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.272 1.029 . . . . 0.0 111.333 170.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.34 -41.94 97.16 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.285 0.945 . . . . 0.0 113.733 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -59.14 -45.31 91.29 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.312 1.445 . . . . 0.0 112.743 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -76.7 -31.02 56.94 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.045 0.838 . . . . 0.0 112.194 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.91 -45.89 85.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.163 0.985 . . . . 0.0 112.036 167.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -29.74 70.09 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.569 1.147 . . . . 0.0 113.545 172.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.618 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.691 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.55 91.59 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.82 -0.55 . . . . 0.0 112.415 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.9 mm -62.13 -42.24 94.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 124.039 0.936 . . . . 0.0 110.594 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.5 -47.31 90.62 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.014 0.816 . . . . 0.0 113.681 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -61.61 -42.34 98.73 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.295 1.038 . . . . 0.0 112.343 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.9 mt -57.51 -45.47 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.692 1.597 . . . . 0.0 111.425 171.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.65 95.68 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.134 0.874 . . . . 0.0 112.418 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.87 -38.57 86.04 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.472 1.109 . . . . 0.0 112.246 174.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -73.99 -35.11 64.41 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.27 87.01 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.194 -1.566 . . . . 0.0 110.878 165.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.69 -29.49 68.78 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -174.776 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -114.88 7.26 15.65 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 120.73 1.605 . . . . 0.0 114.39 -166.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -76.21 -16.82 59.76 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -157.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.73 -155.45 7.7 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 116.739 1.456 . . . . 0.0 116.739 -165.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -52.45 -64.95 0.65 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.042 1.737 . . . . 0.0 114.859 -166.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -123.64 -0.78 9.21 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 115.15 0.82 . . . . 0.0 115.15 -168.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.6 p -59.4 -53.23 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 127.013 2.125 . . . . 0.0 114.351 -166.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.404 ' CE1' ' HA ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -58.43 97.01 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 129.812 3.245 . . . . 0.0 110.504 178.615 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.1 t -138.27 88.64 2.33 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.248 -0.907 . . . . 0.0 112.354 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.79 84.39 1.41 Allowed Glycine 0 N--CA 1.478 1.469 0 C-N-CA 127.993 2.711 . . . . 0.0 113.415 1.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 61.55 9.92 2.98 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 127.98 2.512 . . . . 0.0 115.014 175.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 64.07 -23.85 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 129.327 3.051 . . . . 0.0 115.272 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.8 p -75.71 -10.02 59.09 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.882 2.473 . . . . 0.0 113.439 167.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 m 59.62 78.78 0.25 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.775 2.03 . . . . 0.0 112.014 -173.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -55.69 -1.34 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 129.982 3.313 . . . . 0.0 118.804 -154.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.404 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 19.9 t 65.58 152.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 128.783 2.833 . . . . 0.0 112.091 -174.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -61.01 -13.46 16.54 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 119.544 -1.973 . . . . 0.0 115.818 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 -6.25 59.28 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.872 2.069 . . . . 0.0 115.096 172.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -27.24 -73.37 0.03 OUTLIER Glycine 0 CA--C 1.535 1.313 0 C-N-CA 128.495 2.95 . . . . 0.0 117.093 -164.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 t -66.96 -30.28 70.36 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -173.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.64 -50.65 64.21 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.802 -1.186 . . . . 0.0 111.726 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.0 mm -61.87 -34.56 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 123.473 0.709 . . . . 0.0 110.899 173.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.98 -54.45 36.77 Favored Glycine 0 CA--C 1.541 1.681 0 CA-C-N 120.127 1.33 . . . . 0.0 113.709 170.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -59.43 -44.19 92.96 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.749 0.819 . . . . 0.0 112.789 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 mt -53.98 -58.05 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 126.279 1.832 . . . . 0.0 110.95 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -38.78 96.27 Favored Glycine 0 CA--C 1.536 1.346 0 CA-C-N 118.477 0.581 . . . . 0.0 113.635 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.44 -52.09 67.1 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.405 1.082 . . . . 0.0 112.826 173.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -76.12 -22.52 55.41 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.87 -50.47 73.23 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.582 0.706 . . . . 0.0 111.572 166.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.33 98.55 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.074 -1.017 . . . . 0.0 111.984 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.04 -40.69 52.81 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -174.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -128.29 -18.16 4.11 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 117.514 -1.232 . . . . 0.0 114.054 -162.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -5.02 21.68 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 122.659 2.481 . . . . 0.0 114.686 -175.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.1 -30.78 62.54 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 119.442 1.019 . . . . 0.0 112.389 163.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -83.47 -3.89 58.01 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.084 1.354 . . . . 0.0 113.795 174.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.95 9.08 85.82 Favored Glycine 0 CA--C 1.539 1.548 0 O-C-N 121.215 -0.928 . . . . 0.0 115.149 -163.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.45 44.68 6.82 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.195 1.379 . . . . 0.0 113.228 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -57.17 -34.23 68.25 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.834 1.653 . . . . 0.0 113.827 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.74 -51.27 3.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.868 1.267 . . . . 0.0 111.461 165.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.35 -176.7 40.42 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.808 1.194 . . . . 0.0 114.7 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -71.96 -176.25 1.67 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.833 1.653 . . . . 0.0 113.003 167.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -35.44 101.21 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.424 2.289 . . . . 0.0 114.993 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 125.271 1.428 . . . . 0.0 114.095 -174.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -40.46 25.67 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.055 2.542 . . . . 0.0 112.859 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -172.24 128.32 0.57 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 129.376 3.07 . . . . 0.0 106.824 -170.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.74 161.8 38.77 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-O 122.053 0.807 . . . . 0.0 115.034 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -65.28 -27.92 68.97 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.381 0.673 . . . . 0.0 112.324 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.73 48.17 0.97 Allowed Glycine 0 C--N 1.349 1.254 0 C-N-CA 127.102 2.287 . . . . 0.0 111.348 166.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t 66.99 -36.69 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 130.195 3.398 . . . . 0.0 114.29 -174.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -134.19 1.74 3.25 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -170.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.2 m -111.98 138.51 48.52 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.579 1.536 . . . . 0.0 110.503 -168.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.47 -72.02 0.64 Allowed Glycine 0 N--CA 1.47 0.915 0 C-N-CA 126.197 1.856 . . . . 0.0 111.358 172.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -126.86 -18.25 4.73 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 117.036 -1.459 . . . . 0.0 114.501 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -163.07 -29.53 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -107.28 102.55 11.85 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.988 -1.07 . . . . 0.0 111.239 -169.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -75.96 46.8 0.4 Allowed 'General case' 0 CA--C 1.55 0.955 0 O-C-N 120.793 -1.192 . . . . 0.0 113.795 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.5 p -136.32 79.7 1.78 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 127.916 2.486 . . . . 0.0 108.663 166.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.28 0.2 OUTLIER 35.83 35.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 129.242 3.017 . . . . 0.0 115.832 -167.098 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 47.64 -13.79 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 130.134 3.373 . . . . 0.0 118.313 -169.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.88 3.92 31.72 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 126.997 2.119 . . . . 0.0 115.054 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.06 -32.59 35.44 Favored Glycine 0 CA--C 1.541 1.701 0 N-CA-C 116.82 1.488 . . . . 0.0 116.82 -161.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.7 m -74.17 -39.0 63.51 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.589 1.194 . . . . 0.0 112.781 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.36 97.04 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.337 -0.852 . . . . 0.0 111.224 170.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.62 -36.69 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.861 0.864 . . . . 0.0 111.81 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.82 -52.0 55.75 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.389 0.995 . . . . 0.0 112.869 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -58.56 -49.71 76.44 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.864 0.866 . . . . 0.0 112.035 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.9 mt -56.54 -56.68 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.847 1.259 . . . . 0.0 110.211 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.6 95.8 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.299 0.952 . . . . 0.0 114.332 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.11 -57.7 11.67 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.259 1.023 . . . . 0.0 112.673 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.93 -24.87 59.73 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.32 -50.24 73.74 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.155 0.889 . . . . 0.0 110.567 167.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.69 -27.64 69.06 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.434 1.094 . . . . 0.0 113.027 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.14 83.5 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.977 0.911 . . . . 0.0 112.598 173.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -153.53 -29.26 0.13 Allowed 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 117.128 2.27 . . . . 0.0 117.128 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -33.97 60.54 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.44 1.473 . . . . 0.0 113.224 -165.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.57 -11.21 52.03 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -176.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t -125.09 3.25 7.95 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.832 2.053 . . . . 0.0 113.32 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.07 -13.63 76.83 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.19 1.376 . . . . 0.0 115.984 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.49 176.11 37.34 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 118.791 1.296 . . . . 0.0 113.65 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -67.55 158.36 32.18 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.435 1.094 . . . . 0.0 112.54 170.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 55.8 -78.33 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.918 2.087 . . . . 0.0 114.8 -174.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.69 -159.6 53.84 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 125.313 1.435 . . . . 0.0 115.101 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -53.58 135.28 40.62 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.433 2.293 . . . . 0.0 112.053 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -54.77 154.27 5.25 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.485 1.114 . . . . 0.0 112.067 167.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp . . . . . 0 C--O 1.255 1.379 0 C-N-CA 126.74 2.016 . . . . 0.0 112.941 -174.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.9 tttt . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 120.312 0.101 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -65.19 -20.37 66.41 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -164.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -149.32 177.59 9.53 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.123 1.769 . . . . 0.0 112.276 -171.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.0 -4.56 16.32 Favored Glycine 0 N--CA 1.483 1.823 0 O-C-N 120.528 -1.357 . . . . 0.0 115.773 -161.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -104.82 -104.12 0.31 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 120.609 2.204 . . . . 0.0 111.703 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.88 9.68 60.16 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.753 1.168 . . . . 0.0 115.285 -170.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 p -71.62 -21.7 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 126.332 1.853 . . . . 0.0 115.57 -172.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -72.74 169.72 16.1 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -154.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 t 69.1 -172.94 0.18 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.649 2.38 . . . . 0.0 114.82 174.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.35 -88.47 0.13 Allowed Glycine 0 CA--C 1.538 1.475 0 C-N-CA 126.925 2.202 . . . . 0.0 109.969 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -78.76 62.66 3.33 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.216 1.806 . . . . 0.0 111.555 169.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 47.66 -2.48 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 130.938 3.695 . . . . 0.0 119.911 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -82.67 63.89 7.03 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.228 2.211 . . . . 0.0 111.296 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.2 m -79.07 147.51 32.77 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.288 0.635 . . . . 0.0 112.252 -172.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 t -158.53 176.11 12.82 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.712 1.605 . . . . 0.0 111.154 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.2 t -147.19 151.24 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 127.199 2.2 . . . . 0.0 109.259 168.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -74.93 70.24 1.96 Allowed 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 119.347 0.976 . . . . 0.0 112.205 170.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -146.5 23.23 1.29 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -165.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.88 -29.75 27.73 Favored Glycine 0 N--CA 1.479 1.544 0 O-C-N 119.914 -1.741 . . . . 0.0 116.696 -171.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.2 m -68.12 -37.96 81.69 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 120.642 -1.505 . . . . 0.0 113.365 171.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.12 82.87 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.901 -1.124 . . . . 0.0 112.285 170.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 mt -56.65 -42.42 76.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.511 0.724 . . . . 0.0 110.472 168.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.69 -52.24 54.22 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 121.646 0.581 . . . . 0.0 112.554 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -54.65 -47.78 73.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.537 1.535 . . . . 0.0 113.186 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.35 -50.61 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 126.595 1.958 . . . . 0.0 110.981 173.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.35 -46.33 94.5 Favored Glycine 0 CA--C 1.544 1.899 0 C-N-CA 124.246 0.927 . . . . 0.0 113.55 177.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -58.79 -40.55 84.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.745 0.818 . . . . 0.0 111.934 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -73.22 -37.84 66.26 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.579 -1.326 . . . . 0.0 113.46 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.4 -47.5 78.86 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.996 -0.44 . . . . 0.0 111.04 167.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.47 -22.57 66.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.017 0.927 . . . . 0.0 113.484 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.81 -64.77 0.82 Allowed 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 119.522 1.055 . . . . 0.0 112.173 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -144.92 -0.33 0.91 Allowed 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.0 m-90 -131.85 49.79 2.29 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.778 1.172 . . . . 0.0 113.883 -166.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.58 -25.24 67.2 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.709 1.204 . . . . 0.0 114.213 -169.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 t -68.21 -17.81 64.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.004 1.322 . . . . 0.0 113.677 173.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.73 179.39 45.12 Favored Glycine 0 CA--C 1.543 1.842 0 C-N-CA 126.152 1.834 . . . . 0.0 113.957 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.64 15.9 67.04 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 116.361 1.304 . . . . 0.0 116.361 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -144.98 166.48 25.17 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 118.464 1.132 . . . . 0.0 113.031 -174.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 62.75 177.31 0.14 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.264 2.625 . . . . 0.0 114.994 -173.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.12 68.11 0.22 Allowed Glycine 0 C--N 1.345 1.06 0 C-N-CA 125.185 1.374 . . . . 0.0 112.446 -170.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -35.17 64.49 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -148.2 23.55 1.05 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.454 1.501 . . . . 0.0 114.062 170.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt . . . . . 0 C--O 1.255 1.379 0 C-N-CA 127.045 2.138 . . . . 0.0 111.202 -172.458 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 119.705 -0.188 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -68.78 149.23 49.24 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.734 0.814 . . . . 0.0 112.987 -172.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.588 ' CE1' HG11 ' A' ' 7' ' ' VAL . 35.1 p90 -132.61 -14.09 2.88 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 -171.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.56 ' HA3' HG13 ' A' ' 7' ' ' VAL . . . -105.22 15.48 46.95 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 125.101 1.334 . . . . 0.0 114.197 -177.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 41.07 39.58 0.9 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.911 2.484 . . . . 0.0 112.49 -167.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 166.37 -8.4 0.06 OUTLIER Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.815 1.674 . . . . 0.0 115.072 -172.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.801 HG12 ' HA ' ' A' ' 16' ' ' VAL . 4.3 m -64.45 168.21 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 120.172 1.986 . . . . 0.0 110.525 164.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -154.66 83.76 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.769 0.827 . . . . 0.0 112.01 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.3 m -63.57 -29.12 70.42 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.89 -99.59 0.09 OUTLIER Glycine 0 CA--C 1.542 1.773 0 O-C-N 120.203 -1.561 . . . . 0.0 111.88 -169.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -88.11 -68.1 0.78 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.99 1.716 . . . . 0.0 110.466 165.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -144.62 8.56 1.32 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 126.675 1.99 . . . . 0.0 115.049 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -76.43 42.57 0.28 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 129.042 2.937 . . . . 0.0 113.331 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.6 m -63.86 109.61 1.81 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.728 1.611 . . . . 0.0 113.407 -173.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 t -149.37 167.97 24.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.97 1.708 . . . . 0.0 111.392 161.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.801 ' HA ' HG12 ' A' ' 7' ' ' VAL . 3.4 t -75.93 172.06 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 126.305 1.842 . . . . 0.0 113.58 -160.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' N ' HG12 ' A' ' 16' ' ' VAL . 33.2 t70 -48.97 -19.01 0.34 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.157 2.183 . . . . 0.0 115.113 168.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -1.79 6.31 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.56 1.944 . . . . 0.0 115.737 174.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -35.71 -52.05 1.1 Allowed Glycine 0 CA--C 1.538 1.531 0 C-N-CA 128.073 2.749 . . . . 0.0 115.586 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.8 p -78.64 -29.65 45.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.89 -1.359 . . . . 0.0 113.059 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.39 53.72 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.741 1.216 . . . . 0.0 110.681 172.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.9 pt -63.85 -28.81 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 119.026 0.83 . . . . 0.0 112.063 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.25 -52.08 49.91 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.1 1.334 . . . . 0.0 112.928 171.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -58.75 -45.77 88.94 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 125.315 1.446 . . . . 0.0 112.384 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -52.75 58.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 124.862 1.265 . . . . 0.0 110.637 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.77 -40.39 98.07 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.052 1.311 . . . . 0.0 114.176 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -57.39 -48.72 78.34 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.294 1.037 . . . . 0.0 111.635 170.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -71.71 -28.62 63.82 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.83 75.02 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.501 1.046 . . . . 0.0 111.167 163.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.82 -34.37 77.16 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.17 -30.94 43.77 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.103 1.52 . . . . 0.0 115.103 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -123.76 -24.58 4.46 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.84 1.792 . . . . 0.0 115.84 -168.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -128.52 -24.55 3.03 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -166.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.9 -8.76 7.7 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.401 1.48 . . . . 0.0 114.293 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.6 p -66.46 -16.62 64.26 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.629 1.972 . . . . 0.0 113.913 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.67 -0.97 7.41 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.717 1.151 . . . . 0.0 114.619 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.74 -172.21 43.3 Favored Glycine 0 CA--C 1.544 1.9 0 C-N-CA 124.758 1.171 . . . . 0.0 114.275 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -128.59 112.57 14.43 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.571 1.548 . . . . 0.0 110.273 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.9 157.3 28.37 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.94 15.89 50.4 Favored Glycine 0 CA--C 1.544 1.855 0 C-N-CA 125.638 1.589 . . . . 0.0 114.539 171.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -134.65 169.9 16.62 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.876 1.67 . . . . 0.0 114.225 -165.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -62.12 163.09 8.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 130.032 3.333 . . . . 0.0 114.239 -6.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.3 pttt . . . . . 0 C--O 1.248 1.017 0 C-N-CA 125.982 1.713 . . . . 0.0 113.211 176.868 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 42.5 tptt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 119.283 -0.389 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.77 40.0 0.58 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.226 1.41 . . . . 0.0 112.697 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -63.53 -42.7 98.42 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.395 -1.441 . . . . 0.0 113.18 -167.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.46 35.9 1.36 Allowed Glycine 0 CA--C 1.539 1.586 0 C-N-CA 127.598 2.523 . . . . 0.0 113.547 171.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.7 t30 63.92 -53.04 0.25 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 129.374 3.069 . . . . 0.0 115.588 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.39 2.27 14.08 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 116.949 1.54 . . . . 0.0 116.949 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.1 m -73.76 168.37 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.974 1.31 . . . . 0.0 113.331 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -150.35 93.7 2.02 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.423 1.089 . . . . 0.0 112.331 -163.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.5 m -130.9 172.89 11.52 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.19 176.48 43.24 Favored Glycine 0 CA--C 1.546 2.021 0 C-N-CA 126.818 2.151 . . . . 0.0 111.475 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -64.89 -18.28 65.05 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -171.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -91.78 -88.67 0.19 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.942 1.297 . . . . 0.0 112.993 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -147.84 123.01 10.18 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.691 1.596 . . . . 0.0 109.96 -169.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -142.43 -176.77 4.97 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.379 1.872 . . . . 0.0 113.673 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -141.34 151.77 43.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.792 1.637 . . . . 0.0 110.193 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.54 155.95 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.121 0.968 . . . . 0.0 112.771 -155.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -81.79 62.86 5.79 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.361 1.064 . . . . 0.0 111.561 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -131.23 4.12 4.36 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -167.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.29 -32.7 51.71 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.64 1.114 . . . . 0.0 115.033 -166.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.5 p -73.41 -33.48 64.99 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.856 1.262 . . . . 0.0 114.365 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.21 86.58 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 121.173 -0.955 . . . . 0.0 110.744 170.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.2 mm -67.34 -38.5 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 124.22 1.008 . . . . 0.0 110.914 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.49 -47.08 92.63 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.386 -0.821 . . . . 0.0 112.91 169.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -59.04 -42.34 90.0 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.017 0.927 . . . . 0.0 113.031 174.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.1 mt -54.91 -52.93 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.545 1.538 . . . . 0.0 110.07 172.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.21 -49.78 74.81 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.524 1.059 . . . . 0.0 112.918 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -66.48 -43.49 85.25 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.568 -0.96 . . . . 0.0 112.697 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -77.81 -28.35 50.29 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.789 -1.194 . . . . 0.0 113.366 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.53 93.05 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.621 0.646 . . . . 0.0 111.605 163.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.39 -25.92 68.51 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.457 1.026 . . . . 0.0 113.215 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.59 -33.6 41.5 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -131.96 -12.04 3.32 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 -167.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -134.27 9.67 3.77 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.597 1.559 . . . . 0.0 114.506 -174.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.34 -27.06 21.47 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.244 1.942 . . . . 0.0 116.244 -173.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -70.93 -11.99 61.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.68 1.592 . . . . 0.0 114.546 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.9 52.43 0.3 Allowed Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.89 2.186 . . . . 0.0 111.121 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.71 20.18 1.08 Allowed Glycine 0 CA--C 1.535 1.313 0 C-N-CA 127.017 2.246 . . . . 0.0 116.936 -162.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -76.3 54.15 0.88 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.241 1.817 . . . . 0.0 112.912 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 57.05 -67.99 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 129.426 3.09 . . . . 0.0 116.204 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.58 -51.93 4.65 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.95 1.262 . . . . 0.0 114.845 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -121.86 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 128.231 2.612 . . . . 0.0 114.106 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -74.06 129.64 38.25 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.256 -1.527 . . . . 0.0 112.109 170.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 pttm . . . . . 0 C--O 1.258 1.537 0 C-N-CA 127.062 2.145 . . . . 0.0 112.239 -168.084 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 119.178 -0.439 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -61.52 155.37 22.22 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.649 1.113 . . . . 0.0 113.186 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.34 -49.36 1.0 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.19 1.396 . . . . 0.0 110.85 163.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.03 -176.77 8.34 Favored Glycine 0 CA--C 1.544 1.859 0 C-N-CA 126.736 2.112 . . . . 0.0 111.798 159.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -54.38 -34.11 60.56 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.02 23.75 0.1 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.595 1.093 . . . . 0.0 114.408 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.6 m -62.02 -49.99 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.829 1.651 . . . . 0.0 113.426 -164.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -74.41 98.36 3.27 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.139 0.971 . . . . 0.0 109.208 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.02 163.69 28.68 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 128.165 2.586 . . . . 0.0 112.219 -170.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.13 -21.55 77.09 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 123.981 0.801 . . . . 0.0 114.763 -174.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -70.0 -22.4 63.12 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.249 1.02 . . . . 0.0 113.484 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.5 m80 54.31 -16.35 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 129.169 2.987 . . . . 0.0 118.157 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -70.15 -10.52 59.06 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 121.235 1.834 . . . . 0.0 112.883 164.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 p -75.02 -102.45 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 126.307 1.843 . . . . 0.0 109.846 167.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.2 m 67.53 -28.47 0.14 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 129.054 2.942 . . . . 0.0 116.11 171.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.7 170.86 12.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 125.999 1.719 . . . . 0.0 109.218 171.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -55.73 -12.63 1.34 Allowed 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -7.78 30.9 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.464 1.905 . . . . 0.0 114.919 173.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.51 -42.39 19.38 Favored Glycine 0 CA--C 1.542 1.753 0 C-N-CA 125.846 1.689 . . . . 0.0 115.43 -164.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.2 p -72.02 -33.86 68.39 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.62 88.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.907 0.883 . . . . 0.0 111.102 169.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.7 mm -58.05 -41.68 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.045 0.938 . . . . 0.0 111.822 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.55 -47.41 88.47 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 123.994 0.807 . . . . 0.0 112.612 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -62.84 -44.19 96.78 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.702 -0.881 . . . . 0.0 113.303 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.55 -43.5 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 123.426 0.69 . . . . 0.0 110.932 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.26 -42.52 99.8 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.93 1.252 . . . . 0.0 112.452 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -60.7 -44.64 96.3 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.231 -1.158 . . . . 0.0 112.63 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -75.64 -26.11 57.44 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.085 -1.009 . . . . 0.0 113.402 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . . . -58.19 -52.49 65.33 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.508 1.049 . . . . 0.0 110.052 163.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.97 -32.14 72.55 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 121.452 -0.78 . . . . 0.0 112.588 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.39 -66.14 0.84 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.008 0.923 . . . . 0.0 113.395 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -76.2 -30.08 57.87 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 125.084 1.354 . . . . 0.0 114.14 -169.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.422 ' CE3' ' HA ' ' A' ' 29' ' ' ALA . 5.4 m-90 -90.16 1.41 56.46 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.424 1.09 . . . . 0.0 111.868 170.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.42 -14.03 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 130.52 3.528 . . . . 0.0 117.369 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 t -139.6 -0.17 1.78 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 124.572 1.149 . . . . 0.0 113.084 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.66 -119.38 9.97 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.746 1.165 . . . . 0.0 110.842 -171.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.36 9.88 39.12 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.764 1.173 . . . . 0.0 116.01 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -139.73 150.11 44.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.689 2.396 . . . . 0.0 110.553 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.57 -9.56 54.5 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.22 -167.98 53.97 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.658 1.123 . . . . 0.0 113.391 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -70.07 -5.36 26.23 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -19.44 100.68 0.02 OUTLIER 'General case' 0 C--O 1.248 0.988 0 C-N-CA 129.959 3.304 . . . . 0.0 114.738 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt . . . . . 0 C--O 1.261 1.659 0 C-N-CA 126.845 2.058 . . . . 0.0 114.399 -169.692 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.6 tttt . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 121.703 0.763 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -52.7 -89.18 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 128.244 2.618 . . . . 0.0 117.856 -155.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -144.14 170.18 16.46 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.031 1.333 . . . . 0.0 114.479 -162.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.51 -165.18 52.3 Favored Glycine 0 N--CA 1.478 1.434 0 N-CA-C 115.851 1.1 . . . . 0.0 115.851 160.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -80.9 -70.16 0.55 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.351 0.66 . . . . 0.0 111.0 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.08 -23.79 75.24 Favored Glycine 0 CA--C 1.541 1.684 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 -162.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.2 t -65.1 -37.63 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 118.778 1.289 . . . . 0.0 111.225 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -67.58 94.97 0.45 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.563 1.945 . . . . 0.0 113.971 -171.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.9 t 74.55 -53.87 0.67 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.223 2.609 . . . . 0.0 114.229 168.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.87 -177.44 23.1 Favored Glycine 0 N--CA 1.475 1.256 0 C-N-CA 124.888 1.232 . . . . 0.0 113.621 -173.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt 58.65 -61.11 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 128.321 2.648 . . . . 0.0 114.889 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -116.17 0.62 12.98 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.546 2.338 . . . . 0.0 112.657 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m 57.51 38.84 28.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.533 1.533 . . . . 0.0 113.753 174.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.2 p -65.38 -12.14 49.24 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 117.294 2.331 . . . . 0.0 117.294 -161.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.4 t -142.74 10.66 1.82 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.62 149.14 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.968 1.307 . . . . 0.0 112.628 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.91 -2.44 1.89 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.848 2.059 . . . . 0.0 115.851 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.07 2.2 2.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.091 2.156 . . . . 0.0 115.237 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.81 -45.4 2.84 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 128.298 2.856 . . . . 0.0 116.477 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.8 p -78.48 -30.59 47.4 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.123 -1.221 . . . . 0.0 114.199 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.42 47.15 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 120.856 -1.152 . . . . 0.0 110.524 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.7 pt -62.85 -26.76 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 CA-C-N 118.465 0.575 . . . . 0.0 112.484 175.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.02 -49.35 58.79 Favored Glycine 0 CA--C 1.536 1.381 0 O-C-N 120.788 -1.195 . . . . 0.0 112.563 169.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.85 -43.28 98.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.574 1.55 . . . . 0.0 112.579 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.8 mt -58.59 -49.64 81.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 124.065 0.946 . . . . 0.0 110.057 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.9 -48.05 75.33 Favored Glycine 0 N--CA 1.48 1.593 0 C-N-CA 124.647 1.117 . . . . 0.0 112.935 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -55.91 -50.24 71.23 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.119 1.367 . . . . 0.0 112.319 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -68.37 -32.61 72.81 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.203 1.401 . . . . 0.0 113.625 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.64 99.59 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 120.945 -1.097 . . . . 0.0 111.422 167.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.31 68.2 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 172.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.51 -47.02 18.2 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.06 -1.025 . . . . 0.0 112.682 -176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -147.54 11.71 1.0 Allowed 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -168.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 53.07 40.75 31.72 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.432 1.493 . . . . 0.0 112.49 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.76 30.36 13.44 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.619 1.568 . . . . 0.0 113.705 -176.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.7 p 57.29 16.11 2.93 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 128.46 2.704 . . . . 0.0 113.735 -171.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.53 5.74 25.84 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 127.047 2.261 . . . . 0.0 114.862 -170.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.4 -5.12 48.26 Favored Glycine 0 N--CA 1.479 1.5 0 C-N-CA 125.347 1.451 . . . . 0.0 114.269 -175.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -79.52 -15.97 56.81 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.391 1.476 . . . . 0.0 114.067 -174.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.42 138.56 58.21 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.753 0.821 . . . . 0.0 110.234 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.98 127.45 9.01 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.51 1.052 . . . . 0.0 114.069 -166.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.2 p90 -148.56 -169.31 3.32 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.13 1.772 . . . . 0.0 112.02 169.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -61.86 70.2 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 127.762 2.425 . . . . 0.0 114.239 175.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.4 pttt . . . . . 0 C--O 1.253 1.285 0 C-N-CA 128.081 2.552 . . . . 0.0 113.275 176.834 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 121.196 0.522 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -57.06 -23.8 49.29 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.93 2.492 . . . . 0.0 116.598 -160.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -141.77 -63.36 0.45 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.643 1.977 . . . . 0.0 110.555 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.33 -35.75 3.53 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 125.59 1.567 . . . . 0.0 116.834 164.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -69.3 3.13 2.4 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -170.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.55 -21.89 0.07 OUTLIER Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.53 1.538 . . . . 0.0 114.78 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.45 147.29 30.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 C-N-CA 126.085 1.754 . . . . 0.0 112.168 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 177.28 121.26 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.461 1.904 . . . . 0.0 109.021 -160.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.4 t 53.63 26.7 6.0 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 125.947 1.699 . . . . 0.0 112.622 -166.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.32 -14.76 6.73 Favored Glycine 0 CA--C 1.543 1.839 0 C-N-CA 127.913 2.673 . . . . 0.0 117.147 -166.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.13 -29.23 68.49 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.296 1.048 . . . . 0.0 112.52 170.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -148.4 14.41 0.98 Allowed 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 169.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m 51.88 40.97 29.08 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.473 2.309 . . . . 0.0 113.65 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.9 p -68.79 -7.68 36.3 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -173.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -148.3 177.05 9.75 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.866 1.267 . . . . 0.0 112.445 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.3 t -134.42 147.35 30.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 126.786 2.034 . . . . 0.0 108.388 161.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.7 -9.2 3.61 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 126.003 1.721 . . . . 0.0 115.441 -173.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -68.11 -2.09 7.23 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 127.282 2.233 . . . . 0.0 115.851 175.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.38 -53.37 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 127.25 2.357 . . . . 0.0 116.362 -173.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.3 m -72.7 -33.01 66.19 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -52.97 55.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.545 0.738 . . . . 0.0 110.633 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 pt -67.52 -25.79 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 O-C-N 121.561 -0.712 . . . . 0.0 112.688 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.75 -44.27 57.13 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 119.224 0.92 . . . . 0.0 111.836 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.92 -43.1 99.71 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.178 -1.189 . . . . 0.0 111.59 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.7 mt -53.32 -61.01 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.437 1.095 . . . . 0.0 110.924 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.53 -48.77 63.63 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 123.829 0.728 . . . . 0.0 114.023 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.63 -58.71 7.41 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.388 1.075 . . . . 0.0 111.309 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -75.09 -25.57 58.64 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.47 -54.05 48.71 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 120.178 1.354 . . . . 0.0 110.791 164.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.72 71.82 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.64 -22.24 29.97 Favored 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -133.61 -24.76 1.74 Allowed 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -167.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -86.6 164.65 16.72 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.918 1.235 . . . . 0.0 112.172 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.05 -1.47 20.18 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.45 1.5 . . . . 0.0 114.603 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.4 p 49.19 21.78 0.56 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 129.369 3.068 . . . . 0.0 115.529 -174.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.17 -166.64 42.8 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.859 1.219 . . . . 0.0 113.394 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.28 -17.3 24.04 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.333 0.968 . . . . 0.0 115.436 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -66.3 16.17 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 128.047 2.539 . . . . 0.0 114.685 166.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.63 126.17 5.34 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.655 2.382 . . . . 0.0 114.724 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.42 178.55 41.41 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 126.748 2.118 . . . . 0.0 111.426 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 4.4 p90 -111.57 178.96 4.16 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 129.978 3.311 . . . . 0.0 111.757 0.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -135.76 153.71 51.47 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.648 -1.282 . . . . 0.0 113.146 167.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.432 1.893 . . . . 0.0 112.136 -175.034 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -70.74 161.6 30.57 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -170.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -162.63 -54.47 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.991 2.116 . . . . 0.0 111.232 -168.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.6 177.82 30.12 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.69 1.138 . . . . 0.0 113.407 -171.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 34.37 -90.27 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 130.728 3.611 . . . . 0.0 116.139 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -113.99 3.22 24.17 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 126.295 1.902 . . . . 0.0 116.246 -167.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.7 p -66.75 -20.98 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -71.81 165.13 24.73 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.136 1.774 . . . . 0.0 114.718 -162.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -54.97 164.28 0.85 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.985 1.314 . . . . 0.0 111.788 145.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.9 -176.99 15.34 Favored Glycine 0 N--CA 1.47 0.959 0 N-CA-C 115.288 0.875 . . . . 0.0 115.288 -170.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.29 19.5 ptmt 48.9 -0.5 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 131.469 3.908 . . . . 0.0 120.211 171.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -124.49 -129.6 0.25 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.827 2.451 . . . . 0.0 110.607 173.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 m -119.22 1.04 11.3 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.644 1.978 . . . . 0.0 113.488 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 t -69.11 -32.57 72.06 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.947 1.299 . . . . 0.0 111.856 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -43.45 149.41 0.26 Allowed 'General case' 0 C--O 1.241 0.655 0 C-N-CA 128.517 2.727 . . . . 0.0 114.102 172.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t 81.65 152.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 C-N-CA 129.009 2.923 . . . . 0.0 110.815 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.28 -17.61 30.29 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.619 2.368 . . . . 0.0 115.347 -171.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.85 -0.35 7.1 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.616 1.966 . . . . 0.0 114.756 178.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.79 -34.74 57.13 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.502 1.525 . . . . 0.0 115.317 -161.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 p -71.0 -36.58 72.52 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.673 1.737 . . . . 0.0 113.53 175.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.64 78.59 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.377 0.989 . . . . 0.0 110.529 171.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.9 mm -58.57 -39.39 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 123.915 0.886 . . . . 0.0 111.375 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.75 -45.35 92.98 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 119.34 0.973 . . . . 0.0 112.052 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -61.82 -47.04 86.89 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.354 1.462 . . . . 0.0 111.8 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.8 mt -53.67 -52.41 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.272 1.029 . . . . 0.0 111.333 170.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.34 -41.94 97.16 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.285 0.945 . . . . 0.0 113.733 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -59.14 -45.31 91.29 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.312 1.445 . . . . 0.0 112.743 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -76.7 -31.02 56.94 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.045 0.838 . . . . 0.0 112.194 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.91 -45.89 85.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.163 0.985 . . . . 0.0 112.036 167.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -29.74 70.09 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.569 1.147 . . . . 0.0 113.545 172.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.66 -41.28 38.75 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -131.24 -10.0 3.73 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -162.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -137.32 16.73 2.96 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.147 1.379 . . . . 0.0 114.25 -174.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.57 -8.18 1.81 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.591 1.957 . . . . 0.0 115.431 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.6 p -62.58 -15.97 53.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.612 1.565 . . . . 0.0 114.34 167.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 154.93 2.16 0.12 Allowed Glycine 0 N--CA 1.48 1.578 0 N-CA-C 117.532 1.773 . . . . 0.0 117.532 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.87 6.71 82.74 Favored Glycine 0 N--CA 1.479 1.54 0 CA-C-N 120.27 2.035 . . . . 0.0 115.424 -176.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -137.26 98.73 3.8 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.738 1.615 . . . . 0.0 110.753 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 161.46 11.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.742 2.817 . . . . 0.0 113.179 -1.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 169.7 -175.91 43.72 Favored Glycine 0 N--CA 1.474 1.212 0 C-N-CA 124.768 1.175 . . . . 0.0 112.258 -176.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -88.69 -136.66 0.1 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.525 1.13 . . . . 0.0 113.261 -170.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m120 58.21 161.01 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 128.524 2.73 . . . . 0.0 113.9 -152.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt . . . . . 0 C--O 1.248 1.016 0 C-N-CA 125.098 1.359 . . . . 0.0 113.685 -175.908 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 40.21 -156.36 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 129.828 3.251 . . . . 0.0 117.915 173.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -134.72 179.5 6.26 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.629 2.372 . . . . 0.0 111.859 -158.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.94 -154.46 52.72 Favored Glycine 0 N--CA 1.479 1.563 0 C-N-CA 124.626 1.108 . . . . 0.0 114.859 167.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.59 -64.52 0.86 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.813 0.845 . . . . 0.0 113.123 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.13 4.7 7.82 Favored Glycine 0 N--CA 1.481 1.674 0 C-N-CA 124.756 1.17 . . . . 0.0 115.747 -162.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.43 -13.69 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 119.242 1.521 . . . . 0.0 113.119 -177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -72.68 0.25 11.22 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.833 2.453 . . . . 0.0 116.034 -176.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.7 m -121.78 168.25 12.05 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.008 -1.682 . . . . 0.0 114.622 -151.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.31 -164.45 11.85 Favored Glycine 0 CA--C 1.549 2.19 0 C-N-CA 128.176 2.798 . . . . 0.0 111.758 162.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.9 -21.95 63.84 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.781 1.632 . . . . 0.0 114.998 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -133.86 -64.17 0.71 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.42 1.888 . . . . 0.0 110.47 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.7 m -58.78 108.87 0.71 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.749 1.62 . . . . 0.0 112.269 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.4 t -147.04 153.86 40.5 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.52 0.934 . . . . 0.0 113.52 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.9 t -153.22 179.56 8.63 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.991 2.116 . . . . 0.0 111.273 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.7 t -132.05 161.67 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 127.601 2.36 . . . . 0.0 109.975 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -72.3 65.7 0.62 Allowed 'General case' 0 CA--C 1.557 1.214 0 O-C-N 120.508 -1.37 . . . . 0.0 111.461 169.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -134.98 5.17 3.3 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.564 1.946 . . . . 0.0 115.575 -171.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.43 -36.11 57.45 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 124.887 1.232 . . . . 0.0 115.478 -164.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p -75.32 -35.3 61.25 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.946 1.298 . . . . 0.0 113.785 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.55 91.59 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.82 -0.55 . . . . 0.0 112.415 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.9 mm -62.13 -42.24 94.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 124.039 0.936 . . . . 0.0 110.594 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.5 -47.31 90.62 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.014 0.816 . . . . 0.0 113.681 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -61.61 -42.34 98.73 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.295 1.038 . . . . 0.0 112.343 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.9 mt -57.51 -45.47 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.692 1.597 . . . . 0.0 111.425 171.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.65 95.68 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.134 0.874 . . . . 0.0 112.418 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.87 -38.57 86.04 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.472 1.109 . . . . 0.0 112.246 174.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -73.99 -35.11 64.41 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.27 87.01 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.194 -1.566 . . . . 0.0 110.878 165.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.69 -29.49 68.78 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.4 -32.73 11.01 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -174.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -133.67 -7.85 2.82 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.279 2.232 . . . . 0.0 112.301 -168.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 71.19 -58.53 0.57 Allowed 'General case' 0 C--N 1.349 0.569 0 C-N-CA 126.874 2.07 . . . . 0.0 115.486 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 46.36 44.65 12.91 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.554 1.542 . . . . 0.0 113.139 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.0 p 61.37 -1.6 0.28 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 130.827 3.651 . . . . 0.0 116.574 -174.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.02 -74.82 1.27 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.945 1.736 . . . . 0.0 111.913 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.71 -1.43 29.94 Favored Glycine 0 CA--C 1.545 1.919 0 C-N-CA 125.567 1.556 . . . . 0.0 116.662 174.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -118.76 61.24 0.79 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.838 1.655 . . . . 0.0 111.08 -168.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 53.58 24.29 4.07 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 -173.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.86 -170.21 38.31 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 126.557 2.027 . . . . 0.0 113.375 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . 0.276 0.2 OUTLIER -125.55 -95.44 0.46 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.29 1.436 . . . . 0.0 111.092 -179.788 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -60.4 160.52 8.6 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.293 -0.879 . . . . 0.0 111.041 141.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt . . . . . 0 C--O 1.261 1.691 0 C-N-CA 125.828 1.651 . . . . 0.0 112.193 -177.541 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.64 -50.65 64.21 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.802 -1.186 . . . . 0.0 111.726 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.0 mm -61.87 -34.56 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 123.473 0.709 . . . . 0.0 110.899 173.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.98 -54.45 36.77 Favored Glycine 0 CA--C 1.541 1.681 0 CA-C-N 120.127 1.33 . . . . 0.0 113.709 170.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -59.43 -44.19 92.96 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.749 0.819 . . . . 0.0 112.789 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 mt -53.98 -58.05 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 126.279 1.832 . . . . 0.0 110.95 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -38.78 96.27 Favored Glycine 0 CA--C 1.536 1.346 0 CA-C-N 118.477 0.581 . . . . 0.0 113.635 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.44 -52.09 67.1 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.405 1.082 . . . . 0.0 112.826 173.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -76.12 -22.52 55.41 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.87 -50.47 73.23 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.582 0.706 . . . . 0.0 111.572 166.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.33 98.55 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.074 -1.017 . . . . 0.0 111.984 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.085 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -174.302 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.7 m . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.36 97.04 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.337 -0.852 . . . . 0.0 111.224 170.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.62 -36.69 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.861 0.864 . . . . 0.0 111.81 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.82 -52.0 55.75 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.389 0.995 . . . . 0.0 112.869 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -58.56 -49.71 76.44 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.864 0.866 . . . . 0.0 112.035 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.9 mt -56.54 -56.68 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.847 1.259 . . . . 0.0 110.211 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.6 95.8 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.299 0.952 . . . . 0.0 114.332 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.11 -57.7 11.67 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.259 1.023 . . . . 0.0 112.673 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.93 -24.87 59.73 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.32 -50.24 73.74 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.155 0.889 . . . . 0.0 110.567 167.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.69 -27.64 69.06 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.434 1.094 . . . . 0.0 113.027 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.621 0 C-N-CA 123.977 0.911 . . . . 0.0 112.598 173.753 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.12 82.87 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.901 -1.124 . . . . 0.0 112.285 170.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 mt -56.65 -42.42 76.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.511 0.724 . . . . 0.0 110.472 168.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.69 -52.24 54.22 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 121.646 0.581 . . . . 0.0 112.554 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -54.65 -47.78 73.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.537 1.535 . . . . 0.0 113.186 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.35 -50.61 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 126.595 1.958 . . . . 0.0 110.981 173.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.35 -46.33 94.5 Favored Glycine 0 CA--C 1.544 1.899 0 C-N-CA 124.246 0.927 . . . . 0.0 113.55 177.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -58.79 -40.55 84.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.745 0.818 . . . . 0.0 111.934 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -73.22 -37.84 66.26 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.579 -1.326 . . . . 0.0 113.46 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.4 -47.5 78.86 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.996 -0.44 . . . . 0.0 111.04 167.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.47 -22.57 66.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.017 0.927 . . . . 0.0 113.484 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.978 0 CA-C-N 119.522 1.055 . . . . 0.0 112.173 175.357 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.39 53.72 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.741 1.216 . . . . 0.0 110.681 172.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.9 pt -63.85 -28.81 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 119.026 0.83 . . . . 0.0 112.063 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.25 -52.08 49.91 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.1 1.334 . . . . 0.0 112.928 171.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -58.75 -45.77 88.94 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 125.315 1.446 . . . . 0.0 112.384 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -52.75 58.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 124.862 1.265 . . . . 0.0 110.637 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.77 -40.39 98.07 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.052 1.311 . . . . 0.0 114.176 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -57.39 -48.72 78.34 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.294 1.037 . . . . 0.0 111.635 170.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -71.71 -28.62 63.82 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.83 75.02 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.501 1.046 . . . . 0.0 111.167 163.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.82 -34.37 77.16 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 115.103 1.52 . . . . 0.0 115.103 -179.289 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.5 p . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.21 86.58 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 121.173 -0.955 . . . . 0.0 110.744 170.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.2 mm -67.34 -38.5 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 124.22 1.008 . . . . 0.0 110.914 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.49 -47.08 92.63 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.386 -0.821 . . . . 0.0 112.91 169.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -59.04 -42.34 90.0 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.017 0.927 . . . . 0.0 113.031 174.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.1 mt -54.91 -52.93 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.545 1.538 . . . . 0.0 110.07 172.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.21 -49.78 74.81 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.524 1.059 . . . . 0.0 112.918 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -66.48 -43.49 85.25 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.568 -0.96 . . . . 0.0 112.697 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -77.81 -28.35 50.29 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.789 -1.194 . . . . 0.0 113.366 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.53 93.05 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.621 0.646 . . . . 0.0 111.605 163.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.39 -25.92 68.51 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.457 1.026 . . . . 0.0 113.215 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.009 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 178.187 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.237 0.399 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.62 88.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.907 0.883 . . . . 0.0 111.102 169.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.7 mm -58.05 -41.68 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.045 0.938 . . . . 0.0 111.822 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.55 -47.41 88.47 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 123.994 0.807 . . . . 0.0 112.612 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -62.84 -44.19 96.78 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.702 -0.881 . . . . 0.0 113.303 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.55 -43.5 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 123.426 0.69 . . . . 0.0 110.932 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.26 -42.52 99.8 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.93 1.252 . . . . 0.0 112.452 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -60.7 -44.64 96.3 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.231 -1.158 . . . . 0.0 112.63 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -75.64 -26.11 57.44 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.085 -1.009 . . . . 0.0 113.402 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -52.49 65.33 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.508 1.049 . . . . 0.0 110.052 163.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.97 -32.14 72.55 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 121.452 -0.78 . . . . 0.0 112.588 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.929 0 C-N-CA 124.008 0.923 . . . . 0.0 113.395 178.521 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.42 47.15 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 120.856 -1.152 . . . . 0.0 110.524 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.7 pt -62.85 -26.76 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 CA-C-N 118.465 0.575 . . . . 0.0 112.484 175.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.02 -49.35 58.79 Favored Glycine 0 CA--C 1.536 1.381 0 O-C-N 120.788 -1.195 . . . . 0.0 112.563 169.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.85 -43.28 98.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.574 1.55 . . . . 0.0 112.579 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.8 mt -58.59 -49.64 81.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 124.065 0.946 . . . . 0.0 110.057 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.9 -48.05 75.33 Favored Glycine 0 N--CA 1.48 1.593 0 C-N-CA 124.647 1.117 . . . . 0.0 112.935 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -55.91 -50.24 71.23 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.119 1.367 . . . . 0.0 112.319 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -68.37 -32.61 72.81 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.203 1.401 . . . . 0.0 113.625 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.64 99.59 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 120.945 -1.097 . . . . 0.0 111.422 167.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.31 68.2 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 172.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.45 0 O-C-N 121.06 -1.025 . . . . 0.0 112.682 -176.711 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -52.97 55.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.545 0.738 . . . . 0.0 110.633 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 pt -67.52 -25.79 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 O-C-N 121.561 -0.712 . . . . 0.0 112.688 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.75 -44.27 57.13 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 119.224 0.92 . . . . 0.0 111.836 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.92 -43.1 99.71 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.178 -1.189 . . . . 0.0 111.59 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.7 mt -53.32 -61.01 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.437 1.095 . . . . 0.0 110.924 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.53 -48.77 63.63 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 123.829 0.728 . . . . 0.0 114.023 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.63 -58.71 7.41 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.388 1.075 . . . . 0.0 111.309 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -75.09 -25.57 58.64 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.47 -54.05 48.71 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 120.178 1.354 . . . . 0.0 110.791 164.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.72 71.82 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.298 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -177.669 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--O 1.237 0.423 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.64 78.59 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.377 0.989 . . . . 0.0 110.529 171.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.9 mm -58.57 -39.39 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 123.915 0.886 . . . . 0.0 111.375 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.75 -45.35 92.98 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 119.34 0.973 . . . . 0.0 112.052 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -61.82 -47.04 86.89 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.354 1.462 . . . . 0.0 111.8 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.8 mt -53.67 -52.41 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.272 1.029 . . . . 0.0 111.333 170.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.34 -41.94 97.16 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.285 0.945 . . . . 0.0 113.733 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -59.14 -45.31 91.29 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.312 1.445 . . . . 0.0 112.743 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -76.7 -31.02 56.94 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.045 0.838 . . . . 0.0 112.194 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.91 -45.89 85.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.163 0.985 . . . . 0.0 112.036 167.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -29.74 70.09 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.569 1.147 . . . . 0.0 113.545 172.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.618 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.691 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.55 91.59 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.82 -0.55 . . . . 0.0 112.415 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.9 mm -62.13 -42.24 94.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 124.039 0.936 . . . . 0.0 110.594 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.5 -47.31 90.62 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.014 0.816 . . . . 0.0 113.681 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -61.61 -42.34 98.73 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.295 1.038 . . . . 0.0 112.343 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.9 mt -57.51 -45.47 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.692 1.597 . . . . 0.0 111.425 171.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.65 95.68 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.134 0.874 . . . . 0.0 112.418 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.87 -38.57 86.04 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.472 1.109 . . . . 0.0 112.246 174.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -73.99 -35.11 64.41 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.27 87.01 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.194 -1.566 . . . . 0.0 110.878 165.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.69 -29.49 68.78 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -174.776 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -114.88 7.26 15.65 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 120.73 1.605 . . . . 0.0 114.39 -166.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -76.21 -16.82 59.76 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -157.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.73 -155.45 7.7 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 116.739 1.456 . . . . 0.0 116.739 -165.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -52.45 -64.95 0.65 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.042 1.737 . . . . 0.0 114.859 -166.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -123.64 -0.78 9.21 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 115.15 0.82 . . . . 0.0 115.15 -168.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.6 p -59.4 -53.23 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 127.013 2.125 . . . . 0.0 114.351 -166.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.404 ' CE1' ' HA ' ' A' ' 16' ' ' VAL . 0.5 OUTLIER -58.43 97.01 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 129.812 3.245 . . . . 0.0 110.504 178.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.1 t -138.27 88.64 2.33 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.248 -0.907 . . . . 0.0 112.354 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.79 84.39 1.41 Allowed Glycine 0 N--CA 1.478 1.469 0 C-N-CA 127.993 2.711 . . . . 0.0 113.415 1.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 61.55 9.92 2.98 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 127.98 2.512 . . . . 0.0 115.014 175.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 64.07 -23.85 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 129.327 3.051 . . . . 0.0 115.272 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.8 p -75.71 -10.02 59.09 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.882 2.473 . . . . 0.0 113.439 167.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 m 59.62 78.78 0.25 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.775 2.03 . . . . 0.0 112.014 -173.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -55.69 -1.34 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 129.982 3.313 . . . . 0.0 118.804 -154.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.404 ' HA ' ' CE1' ' A' ' 8' ' ' HIS . 19.9 t 65.58 152.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 128.783 2.833 . . . . 0.0 112.091 -174.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -61.01 -13.46 16.54 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 119.544 -1.973 . . . . 0.0 115.818 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 -6.25 59.28 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.872 2.069 . . . . 0.0 115.096 172.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -27.24 -73.37 0.03 OUTLIER Glycine 0 CA--C 1.535 1.313 0 C-N-CA 128.495 2.95 . . . . 0.0 117.093 -164.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 t -66.96 -30.28 70.36 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -173.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.64 -50.65 64.21 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.802 -1.186 . . . . 0.0 111.726 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.0 mm -61.87 -34.56 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 123.473 0.709 . . . . 0.0 110.899 173.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.98 -54.45 36.77 Favored Glycine 0 CA--C 1.541 1.681 0 CA-C-N 120.127 1.33 . . . . 0.0 113.709 170.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -59.43 -44.19 92.96 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.749 0.819 . . . . 0.0 112.789 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 mt -53.98 -58.05 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 126.279 1.832 . . . . 0.0 110.95 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -38.78 96.27 Favored Glycine 0 CA--C 1.536 1.346 0 CA-C-N 118.477 0.581 . . . . 0.0 113.635 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -59.44 -52.09 67.1 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.405 1.082 . . . . 0.0 112.826 173.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -76.12 -22.52 55.41 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.87 -50.47 73.23 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.582 0.706 . . . . 0.0 111.572 166.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.33 98.55 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.074 -1.017 . . . . 0.0 111.984 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.04 -40.69 52.81 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -174.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -128.29 -18.16 4.11 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 117.514 -1.232 . . . . 0.0 114.054 -162.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -5.02 21.68 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 122.659 2.481 . . . . 0.0 114.686 -175.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.1 -30.78 62.54 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 119.442 1.019 . . . . 0.0 112.389 163.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -83.47 -3.89 58.01 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.084 1.354 . . . . 0.0 113.795 174.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.95 9.08 85.82 Favored Glycine 0 CA--C 1.539 1.548 0 O-C-N 121.215 -0.928 . . . . 0.0 115.149 -163.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.45 44.68 6.82 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.195 1.379 . . . . 0.0 113.228 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -57.17 -34.23 68.25 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.834 1.653 . . . . 0.0 113.827 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.74 -51.27 3.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.868 1.267 . . . . 0.0 111.461 165.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.35 -176.7 40.42 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.808 1.194 . . . . 0.0 114.7 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -71.96 -176.25 1.67 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.833 1.653 . . . . 0.0 113.003 167.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -35.44 101.21 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.424 2.289 . . . . 0.0 114.993 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 125.271 1.428 . . . . 0.0 114.095 -174.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -40.46 25.67 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 128.055 2.542 . . . . 0.0 112.859 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -172.24 128.32 0.57 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 129.376 3.07 . . . . 0.0 106.824 -170.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.74 161.8 38.77 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-O 122.053 0.807 . . . . 0.0 115.034 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -65.28 -27.92 68.97 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.381 0.673 . . . . 0.0 112.324 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.73 48.17 0.97 Allowed Glycine 0 C--N 1.349 1.254 0 C-N-CA 127.102 2.287 . . . . 0.0 111.348 166.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t 66.99 -36.69 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 C-N-CA 130.195 3.398 . . . . 0.0 114.29 -174.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -134.19 1.74 3.25 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -170.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.2 m -111.98 138.51 48.52 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.579 1.536 . . . . 0.0 110.503 -168.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.47 -72.02 0.64 Allowed Glycine 0 N--CA 1.47 0.915 0 C-N-CA 126.197 1.856 . . . . 0.0 111.358 172.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -126.86 -18.25 4.73 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 117.036 -1.459 . . . . 0.0 114.501 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -163.07 -29.53 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -107.28 102.55 11.85 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.988 -1.07 . . . . 0.0 111.239 -169.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -75.96 46.8 0.4 Allowed 'General case' 0 CA--C 1.55 0.955 0 O-C-N 120.793 -1.192 . . . . 0.0 113.795 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.5 p -136.32 79.7 1.78 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 127.916 2.486 . . . . 0.0 108.663 166.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.28 0.2 OUTLIER 35.83 35.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 129.242 3.017 . . . . 0.0 115.832 -167.098 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 47.64 -13.79 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 130.134 3.373 . . . . 0.0 118.313 -169.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.88 3.92 31.72 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 126.997 2.119 . . . . 0.0 115.054 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.06 -32.59 35.44 Favored Glycine 0 CA--C 1.541 1.701 0 N-CA-C 116.82 1.488 . . . . 0.0 116.82 -161.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.7 m -74.17 -39.0 63.51 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.589 1.194 . . . . 0.0 112.781 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.36 97.04 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.337 -0.852 . . . . 0.0 111.224 170.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.62 -36.69 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.861 0.864 . . . . 0.0 111.81 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.82 -52.0 55.75 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.389 0.995 . . . . 0.0 112.869 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -58.56 -49.71 76.44 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.864 0.866 . . . . 0.0 112.035 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.9 mt -56.54 -56.68 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.847 1.259 . . . . 0.0 110.211 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.6 95.8 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.299 0.952 . . . . 0.0 114.332 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.11 -57.7 11.67 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.259 1.023 . . . . 0.0 112.673 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.93 -24.87 59.73 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.32 -50.24 73.74 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.155 0.889 . . . . 0.0 110.567 167.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.69 -27.64 69.06 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.434 1.094 . . . . 0.0 113.027 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.14 83.5 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.977 0.911 . . . . 0.0 112.598 173.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -153.53 -29.26 0.13 Allowed 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 117.128 2.27 . . . . 0.0 117.128 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -33.97 60.54 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.44 1.473 . . . . 0.0 113.224 -165.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.57 -11.21 52.03 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -176.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t -125.09 3.25 7.95 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.832 2.053 . . . . 0.0 113.32 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.07 -13.63 76.83 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.19 1.376 . . . . 0.0 115.984 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.49 176.11 37.34 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 118.791 1.296 . . . . 0.0 113.65 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -67.55 158.36 32.18 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.435 1.094 . . . . 0.0 112.54 170.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 55.8 -78.33 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.918 2.087 . . . . 0.0 114.8 -174.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.69 -159.6 53.84 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 125.313 1.435 . . . . 0.0 115.101 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -53.58 135.28 40.62 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.433 2.293 . . . . 0.0 112.053 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -54.77 154.27 5.25 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.485 1.114 . . . . 0.0 112.067 167.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp . . . . . 0 C--O 1.255 1.379 0 C-N-CA 126.74 2.016 . . . . 0.0 112.941 -174.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.9 tttt . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 120.312 0.101 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -65.19 -20.37 66.41 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -164.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -149.32 177.59 9.53 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 126.123 1.769 . . . . 0.0 112.276 -171.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.0 -4.56 16.32 Favored Glycine 0 N--CA 1.483 1.823 0 O-C-N 120.528 -1.357 . . . . 0.0 115.773 -161.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -104.82 -104.12 0.31 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 120.609 2.204 . . . . 0.0 111.703 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.88 9.68 60.16 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.753 1.168 . . . . 0.0 115.285 -170.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 p -71.62 -21.7 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 126.332 1.853 . . . . 0.0 115.57 -172.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -72.74 169.72 16.1 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -154.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 t 69.1 -172.94 0.18 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.649 2.38 . . . . 0.0 114.82 174.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.35 -88.47 0.13 Allowed Glycine 0 CA--C 1.538 1.475 0 C-N-CA 126.925 2.202 . . . . 0.0 109.969 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -78.76 62.66 3.33 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.216 1.806 . . . . 0.0 111.555 169.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 47.66 -2.48 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 130.938 3.695 . . . . 0.0 119.911 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -82.67 63.89 7.03 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.228 2.211 . . . . 0.0 111.296 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.2 m -79.07 147.51 32.77 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.288 0.635 . . . . 0.0 112.252 -172.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 t -158.53 176.11 12.82 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.712 1.605 . . . . 0.0 111.154 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.2 t -147.19 151.24 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 127.199 2.2 . . . . 0.0 109.259 168.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -74.93 70.24 1.96 Allowed 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 119.347 0.976 . . . . 0.0 112.205 170.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -146.5 23.23 1.29 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -165.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.88 -29.75 27.73 Favored Glycine 0 N--CA 1.479 1.544 0 O-C-N 119.914 -1.741 . . . . 0.0 116.696 -171.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.2 m -68.12 -37.96 81.69 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 120.642 -1.505 . . . . 0.0 113.365 171.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.12 82.87 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.901 -1.124 . . . . 0.0 112.285 170.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 mt -56.65 -42.42 76.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.511 0.724 . . . . 0.0 110.472 168.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.69 -52.24 54.22 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 121.646 0.581 . . . . 0.0 112.554 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -54.65 -47.78 73.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.537 1.535 . . . . 0.0 113.186 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.35 -50.61 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 126.595 1.958 . . . . 0.0 110.981 173.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.35 -46.33 94.5 Favored Glycine 0 CA--C 1.544 1.899 0 C-N-CA 124.246 0.927 . . . . 0.0 113.55 177.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -58.79 -40.55 84.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.745 0.818 . . . . 0.0 111.934 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -73.22 -37.84 66.26 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.579 -1.326 . . . . 0.0 113.46 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.4 -47.5 78.86 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.996 -0.44 . . . . 0.0 111.04 167.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.47 -22.57 66.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.017 0.927 . . . . 0.0 113.484 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.81 -64.77 0.82 Allowed 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 119.522 1.055 . . . . 0.0 112.173 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -144.92 -0.33 0.91 Allowed 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.0 m-90 -131.85 49.79 2.29 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.778 1.172 . . . . 0.0 113.883 -166.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.58 -25.24 67.2 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.709 1.204 . . . . 0.0 114.213 -169.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 t -68.21 -17.81 64.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.004 1.322 . . . . 0.0 113.677 173.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.73 179.39 45.12 Favored Glycine 0 CA--C 1.543 1.842 0 C-N-CA 126.152 1.834 . . . . 0.0 113.957 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.64 15.9 67.04 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 116.361 1.304 . . . . 0.0 116.361 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -144.98 166.48 25.17 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 118.464 1.132 . . . . 0.0 113.031 -174.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 62.75 177.31 0.14 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.264 2.625 . . . . 0.0 114.994 -173.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.12 68.11 0.22 Allowed Glycine 0 C--N 1.345 1.06 0 C-N-CA 125.185 1.374 . . . . 0.0 112.446 -170.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -35.17 64.49 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -148.2 23.55 1.05 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.454 1.501 . . . . 0.0 114.062 170.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt . . . . . 0 C--O 1.255 1.379 0 C-N-CA 127.045 2.138 . . . . 0.0 111.202 -172.458 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 119.705 -0.188 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -68.78 149.23 49.24 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.734 0.814 . . . . 0.0 112.987 -172.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.588 ' CE1' HG11 ' A' ' 7' ' ' VAL . 35.1 p90 -132.61 -14.09 2.88 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.646 2.091 . . . . 0.0 116.646 -171.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.56 ' HA3' HG13 ' A' ' 7' ' ' VAL . . . -105.22 15.48 46.95 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 125.101 1.334 . . . . 0.0 114.197 -177.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 41.07 39.58 0.9 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.911 2.484 . . . . 0.0 112.49 -167.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 166.37 -8.4 0.06 OUTLIER Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.815 1.674 . . . . 0.0 115.072 -172.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.801 HG12 ' HA ' ' A' ' 16' ' ' VAL . 4.3 m -64.45 168.21 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 120.172 1.986 . . . . 0.0 110.525 164.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -154.66 83.76 1.1 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.769 0.827 . . . . 0.0 112.01 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.3 m -63.57 -29.12 70.42 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 56.89 -99.59 0.09 OUTLIER Glycine 0 CA--C 1.542 1.773 0 O-C-N 120.203 -1.561 . . . . 0.0 111.88 -169.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -88.11 -68.1 0.78 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.99 1.716 . . . . 0.0 110.466 165.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -144.62 8.56 1.32 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 126.675 1.99 . . . . 0.0 115.049 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -76.43 42.57 0.28 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 129.042 2.937 . . . . 0.0 113.331 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.6 m -63.86 109.61 1.81 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.728 1.611 . . . . 0.0 113.407 -173.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 t -149.37 167.97 24.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.97 1.708 . . . . 0.0 111.392 161.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.801 ' HA ' HG12 ' A' ' 7' ' ' VAL . 3.4 t -75.93 172.06 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 126.305 1.842 . . . . 0.0 113.58 -160.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' N ' HG12 ' A' ' 16' ' ' VAL . 33.2 t70 -48.97 -19.01 0.34 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.157 2.183 . . . . 0.0 115.113 168.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -1.79 6.31 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.56 1.944 . . . . 0.0 115.737 174.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -35.71 -52.05 1.1 Allowed Glycine 0 CA--C 1.538 1.531 0 C-N-CA 128.073 2.749 . . . . 0.0 115.586 -173.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.8 p -78.64 -29.65 45.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.89 -1.359 . . . . 0.0 113.059 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.39 53.72 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.741 1.216 . . . . 0.0 110.681 172.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.9 pt -63.85 -28.81 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 119.026 0.83 . . . . 0.0 112.063 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.25 -52.08 49.91 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.1 1.334 . . . . 0.0 112.928 171.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -58.75 -45.77 88.94 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 125.315 1.446 . . . . 0.0 112.384 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -52.75 58.01 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 124.862 1.265 . . . . 0.0 110.637 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.77 -40.39 98.07 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.052 1.311 . . . . 0.0 114.176 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -57.39 -48.72 78.34 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.294 1.037 . . . . 0.0 111.635 170.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -71.71 -28.62 63.82 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.83 75.02 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.501 1.046 . . . . 0.0 111.167 163.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.82 -34.37 77.16 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.17 -30.94 43.77 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.103 1.52 . . . . 0.0 115.103 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -123.76 -24.58 4.46 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.84 1.792 . . . . 0.0 115.84 -168.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -128.52 -24.55 3.03 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -166.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.9 -8.76 7.7 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.401 1.48 . . . . 0.0 114.293 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.6 p -66.46 -16.62 64.26 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.629 1.972 . . . . 0.0 113.913 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.67 -0.97 7.41 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.717 1.151 . . . . 0.0 114.619 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.74 -172.21 43.3 Favored Glycine 0 CA--C 1.544 1.9 0 C-N-CA 124.758 1.171 . . . . 0.0 114.275 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -128.59 112.57 14.43 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.571 1.548 . . . . 0.0 110.273 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.9 157.3 28.37 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.94 15.89 50.4 Favored Glycine 0 CA--C 1.544 1.855 0 C-N-CA 125.638 1.589 . . . . 0.0 114.539 171.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -134.65 169.9 16.62 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.876 1.67 . . . . 0.0 114.225 -165.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -62.12 163.09 8.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 130.032 3.333 . . . . 0.0 114.239 -6.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.3 pttt . . . . . 0 C--O 1.248 1.017 0 C-N-CA 125.982 1.713 . . . . 0.0 113.211 176.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 42.5 tptt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 119.283 -0.389 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.77 40.0 0.58 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.226 1.41 . . . . 0.0 112.697 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -63.53 -42.7 98.42 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.395 -1.441 . . . . 0.0 113.18 -167.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.46 35.9 1.36 Allowed Glycine 0 CA--C 1.539 1.586 0 C-N-CA 127.598 2.523 . . . . 0.0 113.547 171.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.7 t30 63.92 -53.04 0.25 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 129.374 3.069 . . . . 0.0 115.588 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.39 2.27 14.08 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 116.949 1.54 . . . . 0.0 116.949 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.1 m -73.76 168.37 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.974 1.31 . . . . 0.0 113.331 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -150.35 93.7 2.02 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.423 1.089 . . . . 0.0 112.331 -163.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.5 m -130.9 172.89 11.52 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.19 176.48 43.24 Favored Glycine 0 CA--C 1.546 2.021 0 C-N-CA 126.818 2.151 . . . . 0.0 111.475 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -64.89 -18.28 65.05 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -171.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -91.78 -88.67 0.19 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.942 1.297 . . . . 0.0 112.993 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -147.84 123.01 10.18 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.691 1.596 . . . . 0.0 109.96 -169.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -142.43 -176.77 4.97 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.379 1.872 . . . . 0.0 113.673 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -141.34 151.77 43.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.792 1.637 . . . . 0.0 110.193 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.54 155.95 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.121 0.968 . . . . 0.0 112.771 -155.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -81.79 62.86 5.79 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.361 1.064 . . . . 0.0 111.561 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -131.23 4.12 4.36 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 -167.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.29 -32.7 51.71 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.64 1.114 . . . . 0.0 115.033 -166.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.5 p -73.41 -33.48 64.99 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.856 1.262 . . . . 0.0 114.365 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.21 86.58 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 121.173 -0.955 . . . . 0.0 110.744 170.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.2 mm -67.34 -38.5 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 124.22 1.008 . . . . 0.0 110.914 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.49 -47.08 92.63 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.386 -0.821 . . . . 0.0 112.91 169.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -59.04 -42.34 90.0 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.017 0.927 . . . . 0.0 113.031 174.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.1 mt -54.91 -52.93 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.545 1.538 . . . . 0.0 110.07 172.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.21 -49.78 74.81 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.524 1.059 . . . . 0.0 112.918 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -66.48 -43.49 85.25 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.568 -0.96 . . . . 0.0 112.697 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -77.81 -28.35 50.29 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.789 -1.194 . . . . 0.0 113.366 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.53 93.05 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.621 0.646 . . . . 0.0 111.605 163.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.39 -25.92 68.51 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.457 1.026 . . . . 0.0 113.215 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.59 -33.6 41.5 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -131.96 -12.04 3.32 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 -167.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -134.27 9.67 3.77 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.597 1.559 . . . . 0.0 114.506 -174.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.34 -27.06 21.47 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.244 1.942 . . . . 0.0 116.244 -173.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -70.93 -11.99 61.28 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.68 1.592 . . . . 0.0 114.546 174.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.9 52.43 0.3 Allowed Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.89 2.186 . . . . 0.0 111.121 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.71 20.18 1.08 Allowed Glycine 0 CA--C 1.535 1.313 0 C-N-CA 127.017 2.246 . . . . 0.0 116.936 -162.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -76.3 54.15 0.88 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.241 1.817 . . . . 0.0 112.912 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 57.05 -67.99 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 129.426 3.09 . . . . 0.0 116.204 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.58 -51.93 4.65 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.95 1.262 . . . . 0.0 114.845 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -121.86 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 128.231 2.612 . . . . 0.0 114.106 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -74.06 129.64 38.25 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.256 -1.527 . . . . 0.0 112.109 170.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 pttm . . . . . 0 C--O 1.258 1.537 0 C-N-CA 127.062 2.145 . . . . 0.0 112.239 -168.084 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 119.178 -0.439 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -61.52 155.37 22.22 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.649 1.113 . . . . 0.0 113.186 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.34 -49.36 1.0 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.19 1.396 . . . . 0.0 110.85 163.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.03 -176.77 8.34 Favored Glycine 0 CA--C 1.544 1.859 0 C-N-CA 126.736 2.112 . . . . 0.0 111.798 159.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -54.38 -34.11 60.56 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.02 23.75 0.1 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.595 1.093 . . . . 0.0 114.408 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.6 m -62.02 -49.99 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.829 1.651 . . . . 0.0 113.426 -164.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -74.41 98.36 3.27 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.139 0.971 . . . . 0.0 109.208 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.02 163.69 28.68 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 128.165 2.586 . . . . 0.0 112.219 -170.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.13 -21.55 77.09 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 123.981 0.801 . . . . 0.0 114.763 -174.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -70.0 -22.4 63.12 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.249 1.02 . . . . 0.0 113.484 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.5 m80 54.31 -16.35 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 129.169 2.987 . . . . 0.0 118.157 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -70.15 -10.52 59.06 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 121.235 1.834 . . . . 0.0 112.883 164.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 p -75.02 -102.45 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 126.307 1.843 . . . . 0.0 109.846 167.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.2 m 67.53 -28.47 0.14 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 129.054 2.942 . . . . 0.0 116.11 171.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.7 170.86 12.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 C-N-CA 125.999 1.719 . . . . 0.0 109.218 171.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -55.73 -12.63 1.34 Allowed 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -7.78 30.9 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.464 1.905 . . . . 0.0 114.919 173.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.51 -42.39 19.38 Favored Glycine 0 CA--C 1.542 1.753 0 C-N-CA 125.846 1.689 . . . . 0.0 115.43 -164.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.2 p -72.02 -33.86 68.39 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.62 88.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.907 0.883 . . . . 0.0 111.102 169.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.7 mm -58.05 -41.68 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.045 0.938 . . . . 0.0 111.822 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.55 -47.41 88.47 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 123.994 0.807 . . . . 0.0 112.612 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -62.84 -44.19 96.78 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.702 -0.881 . . . . 0.0 113.303 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.55 -43.5 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 123.426 0.69 . . . . 0.0 110.932 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.26 -42.52 99.8 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.93 1.252 . . . . 0.0 112.452 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -60.7 -44.64 96.3 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.231 -1.158 . . . . 0.0 112.63 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -75.64 -26.11 57.44 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.085 -1.009 . . . . 0.0 113.402 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . . . -58.19 -52.49 65.33 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.508 1.049 . . . . 0.0 110.052 163.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.97 -32.14 72.55 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 121.452 -0.78 . . . . 0.0 112.588 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.39 -66.14 0.84 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.008 0.923 . . . . 0.0 113.395 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -76.2 -30.08 57.87 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 125.084 1.354 . . . . 0.0 114.14 -169.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.422 ' CE3' ' HA ' ' A' ' 29' ' ' ALA . 5.4 m-90 -90.16 1.41 56.46 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.424 1.09 . . . . 0.0 111.868 170.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.42 -14.03 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 130.52 3.528 . . . . 0.0 117.369 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 t -139.6 -0.17 1.78 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 124.572 1.149 . . . . 0.0 113.084 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.66 -119.38 9.97 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.746 1.165 . . . . 0.0 110.842 -171.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.36 9.88 39.12 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.764 1.173 . . . . 0.0 116.01 -178.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -139.73 150.11 44.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.689 2.396 . . . . 0.0 110.553 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.57 -9.56 54.5 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.22 -167.98 53.97 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.658 1.123 . . . . 0.0 113.391 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -70.07 -5.36 26.23 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -19.44 100.68 0.02 OUTLIER 'General case' 0 C--O 1.248 0.988 0 C-N-CA 129.959 3.304 . . . . 0.0 114.738 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt . . . . . 0 C--O 1.261 1.659 0 C-N-CA 126.845 2.058 . . . . 0.0 114.399 -169.692 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.6 tttt . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 121.703 0.763 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -52.7 -89.18 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 128.244 2.618 . . . . 0.0 117.856 -155.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -144.14 170.18 16.46 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.031 1.333 . . . . 0.0 114.479 -162.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.51 -165.18 52.3 Favored Glycine 0 N--CA 1.478 1.434 0 N-CA-C 115.851 1.1 . . . . 0.0 115.851 160.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -80.9 -70.16 0.55 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.351 0.66 . . . . 0.0 111.0 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.08 -23.79 75.24 Favored Glycine 0 CA--C 1.541 1.684 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 -162.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.2 t -65.1 -37.63 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 118.778 1.289 . . . . 0.0 111.225 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -67.58 94.97 0.45 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.563 1.945 . . . . 0.0 113.971 -171.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.9 t 74.55 -53.87 0.67 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.223 2.609 . . . . 0.0 114.229 168.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.87 -177.44 23.1 Favored Glycine 0 N--CA 1.475 1.256 0 C-N-CA 124.888 1.232 . . . . 0.0 113.621 -173.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt 58.65 -61.11 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 128.321 2.648 . . . . 0.0 114.889 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -116.17 0.62 12.98 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.546 2.338 . . . . 0.0 112.657 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m 57.51 38.84 28.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.533 1.533 . . . . 0.0 113.753 174.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.2 p -65.38 -12.14 49.24 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 117.294 2.331 . . . . 0.0 117.294 -161.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.4 t -142.74 10.66 1.82 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.62 149.14 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.968 1.307 . . . . 0.0 112.628 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.91 -2.44 1.89 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.848 2.059 . . . . 0.0 115.851 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.07 2.2 2.94 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.091 2.156 . . . . 0.0 115.237 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.81 -45.4 2.84 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 128.298 2.856 . . . . 0.0 116.477 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.8 p -78.48 -30.59 47.4 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.123 -1.221 . . . . 0.0 114.199 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.42 47.15 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 120.856 -1.152 . . . . 0.0 110.524 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.7 pt -62.85 -26.76 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 CA-C-N 118.465 0.575 . . . . 0.0 112.484 175.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.02 -49.35 58.79 Favored Glycine 0 CA--C 1.536 1.381 0 O-C-N 120.788 -1.195 . . . . 0.0 112.563 169.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.85 -43.28 98.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.574 1.55 . . . . 0.0 112.579 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.8 mt -58.59 -49.64 81.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 124.065 0.946 . . . . 0.0 110.057 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.9 -48.05 75.33 Favored Glycine 0 N--CA 1.48 1.593 0 C-N-CA 124.647 1.117 . . . . 0.0 112.935 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -55.91 -50.24 71.23 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.119 1.367 . . . . 0.0 112.319 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -68.37 -32.61 72.81 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.203 1.401 . . . . 0.0 113.625 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.64 99.59 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 120.945 -1.097 . . . . 0.0 111.422 167.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.31 68.2 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 172.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.51 -47.02 18.2 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.06 -1.025 . . . . 0.0 112.682 -176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -147.54 11.71 1.0 Allowed 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -168.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 53.07 40.75 31.72 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.432 1.493 . . . . 0.0 112.49 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.76 30.36 13.44 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.619 1.568 . . . . 0.0 113.705 -176.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.7 p 57.29 16.11 2.93 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 128.46 2.704 . . . . 0.0 113.735 -171.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.53 5.74 25.84 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 127.047 2.261 . . . . 0.0 114.862 -170.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.4 -5.12 48.26 Favored Glycine 0 N--CA 1.479 1.5 0 C-N-CA 125.347 1.451 . . . . 0.0 114.269 -175.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -79.52 -15.97 56.81 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.391 1.476 . . . . 0.0 114.067 -174.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.42 138.56 58.21 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.753 0.821 . . . . 0.0 110.234 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.98 127.45 9.01 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.51 1.052 . . . . 0.0 114.069 -166.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.2 p90 -148.56 -169.31 3.32 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.13 1.772 . . . . 0.0 112.02 169.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -61.86 70.2 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 127.762 2.425 . . . . 0.0 114.239 175.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.4 pttt . . . . . 0 C--O 1.253 1.285 0 C-N-CA 128.081 2.552 . . . . 0.0 113.275 176.834 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 121.196 0.522 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -57.06 -23.8 49.29 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.93 2.492 . . . . 0.0 116.598 -160.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -141.77 -63.36 0.45 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.643 1.977 . . . . 0.0 110.555 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.33 -35.75 3.53 Favored Glycine 0 C--N 1.341 0.85 0 C-N-CA 125.59 1.567 . . . . 0.0 116.834 164.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -69.3 3.13 2.4 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -170.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.55 -21.89 0.07 OUTLIER Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.53 1.538 . . . . 0.0 114.78 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.45 147.29 30.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 C-N-CA 126.085 1.754 . . . . 0.0 112.168 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 177.28 121.26 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.461 1.904 . . . . 0.0 109.021 -160.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.4 t 53.63 26.7 6.0 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 125.947 1.699 . . . . 0.0 112.622 -166.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.32 -14.76 6.73 Favored Glycine 0 CA--C 1.543 1.839 0 C-N-CA 127.913 2.673 . . . . 0.0 117.147 -166.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.13 -29.23 68.49 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.296 1.048 . . . . 0.0 112.52 170.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -148.4 14.41 0.98 Allowed 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 169.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m 51.88 40.97 29.08 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.473 2.309 . . . . 0.0 113.65 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.9 p -68.79 -7.68 36.3 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -173.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -148.3 177.05 9.75 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.866 1.267 . . . . 0.0 112.445 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.3 t -134.42 147.35 30.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 126.786 2.034 . . . . 0.0 108.388 161.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.7 -9.2 3.61 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 126.003 1.721 . . . . 0.0 115.441 -173.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -68.11 -2.09 7.23 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 127.282 2.233 . . . . 0.0 115.851 175.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.38 -53.37 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 127.25 2.357 . . . . 0.0 116.362 -173.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.3 m -72.7 -33.01 66.19 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.33 -52.97 55.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.545 0.738 . . . . 0.0 110.633 174.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 pt -67.52 -25.79 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 O-C-N 121.561 -0.712 . . . . 0.0 112.688 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.75 -44.27 57.13 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 119.224 0.92 . . . . 0.0 111.836 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.92 -43.1 99.71 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.178 -1.189 . . . . 0.0 111.59 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.7 mt -53.32 -61.01 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.437 1.095 . . . . 0.0 110.924 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.53 -48.77 63.63 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 123.829 0.728 . . . . 0.0 114.023 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.63 -58.71 7.41 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.388 1.075 . . . . 0.0 111.309 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -75.09 -25.57 58.64 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.47 -54.05 48.71 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 120.178 1.354 . . . . 0.0 110.791 164.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.72 71.82 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.64 -22.24 29.97 Favored 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -133.61 -24.76 1.74 Allowed 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -167.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -86.6 164.65 16.72 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.918 1.235 . . . . 0.0 112.172 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.05 -1.47 20.18 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.45 1.5 . . . . 0.0 114.603 175.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.4 p 49.19 21.78 0.56 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 129.369 3.068 . . . . 0.0 115.529 -174.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.17 -166.64 42.8 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.859 1.219 . . . . 0.0 113.394 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.28 -17.3 24.04 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.333 0.968 . . . . 0.0 115.436 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -66.3 16.17 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 128.047 2.539 . . . . 0.0 114.685 166.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.63 126.17 5.34 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.655 2.382 . . . . 0.0 114.724 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.42 178.55 41.41 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 126.748 2.118 . . . . 0.0 111.426 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 4.4 p90 -111.57 178.96 4.16 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 129.978 3.311 . . . . 0.0 111.757 0.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -135.76 153.71 51.47 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.648 -1.282 . . . . 0.0 113.146 167.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.432 1.893 . . . . 0.0 112.136 -175.034 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -70.74 161.6 30.57 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -170.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -162.63 -54.47 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.991 2.116 . . . . 0.0 111.232 -168.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.6 177.82 30.12 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.69 1.138 . . . . 0.0 113.407 -171.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 34.37 -90.27 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 130.728 3.611 . . . . 0.0 116.139 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -113.99 3.22 24.17 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 126.295 1.902 . . . . 0.0 116.246 -167.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.7 p -66.75 -20.98 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -71.81 165.13 24.73 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.136 1.774 . . . . 0.0 114.718 -162.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -54.97 164.28 0.85 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.985 1.314 . . . . 0.0 111.788 145.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.9 -176.99 15.34 Favored Glycine 0 N--CA 1.47 0.959 0 N-CA-C 115.288 0.875 . . . . 0.0 115.288 -170.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.29 19.5 ptmt 48.9 -0.5 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 131.469 3.908 . . . . 0.0 120.211 171.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -124.49 -129.6 0.25 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.827 2.451 . . . . 0.0 110.607 173.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 m -119.22 1.04 11.3 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.644 1.978 . . . . 0.0 113.488 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 t -69.11 -32.57 72.06 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.947 1.299 . . . . 0.0 111.856 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -43.45 149.41 0.26 Allowed 'General case' 0 C--O 1.241 0.655 0 C-N-CA 128.517 2.727 . . . . 0.0 114.102 172.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t 81.65 152.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 C-N-CA 129.009 2.923 . . . . 0.0 110.815 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.28 -17.61 30.29 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.619 2.368 . . . . 0.0 115.347 -171.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.85 -0.35 7.1 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.616 1.966 . . . . 0.0 114.756 178.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.79 -34.74 57.13 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.502 1.525 . . . . 0.0 115.317 -161.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.4 p -71.0 -36.58 72.52 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.673 1.737 . . . . 0.0 113.53 175.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.64 78.59 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.377 0.989 . . . . 0.0 110.529 171.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.9 mm -58.57 -39.39 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 123.915 0.886 . . . . 0.0 111.375 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.75 -45.35 92.98 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 119.34 0.973 . . . . 0.0 112.052 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -61.82 -47.04 86.89 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.354 1.462 . . . . 0.0 111.8 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.8 mt -53.67 -52.41 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.272 1.029 . . . . 0.0 111.333 170.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.34 -41.94 97.16 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.285 0.945 . . . . 0.0 113.733 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -59.14 -45.31 91.29 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.312 1.445 . . . . 0.0 112.743 172.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -76.7 -31.02 56.94 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.045 0.838 . . . . 0.0 112.194 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.91 -45.89 85.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.163 0.985 . . . . 0.0 112.036 167.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -29.74 70.09 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.569 1.147 . . . . 0.0 113.545 172.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.66 -41.28 38.75 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -131.24 -10.0 3.73 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -162.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -137.32 16.73 2.96 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.147 1.379 . . . . 0.0 114.25 -174.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.57 -8.18 1.81 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.591 1.957 . . . . 0.0 115.431 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.6 p -62.58 -15.97 53.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.612 1.565 . . . . 0.0 114.34 167.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 154.93 2.16 0.12 Allowed Glycine 0 N--CA 1.48 1.578 0 N-CA-C 117.532 1.773 . . . . 0.0 117.532 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.87 6.71 82.74 Favored Glycine 0 N--CA 1.479 1.54 0 CA-C-N 120.27 2.035 . . . . 0.0 115.424 -176.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -137.26 98.73 3.8 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.738 1.615 . . . . 0.0 110.753 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.42 161.46 11.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.742 2.817 . . . . 0.0 113.179 -1.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 169.7 -175.91 43.72 Favored Glycine 0 N--CA 1.474 1.212 0 C-N-CA 124.768 1.175 . . . . 0.0 112.258 -176.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -88.69 -136.66 0.1 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.525 1.13 . . . . 0.0 113.261 -170.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m120 58.21 161.01 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 128.524 2.73 . . . . 0.0 113.9 -152.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt . . . . . 0 C--O 1.248 1.016 0 C-N-CA 125.098 1.359 . . . . 0.0 113.685 -175.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 40.21 -156.36 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 129.828 3.251 . . . . 0.0 117.915 173.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -134.72 179.5 6.26 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.629 2.372 . . . . 0.0 111.859 -158.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.94 -154.46 52.72 Favored Glycine 0 N--CA 1.479 1.563 0 C-N-CA 124.626 1.108 . . . . 0.0 114.859 167.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.59 -64.52 0.86 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.813 0.845 . . . . 0.0 113.123 -175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.13 4.7 7.82 Favored Glycine 0 N--CA 1.481 1.674 0 C-N-CA 124.756 1.17 . . . . 0.0 115.747 -162.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.43 -13.69 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 CA-C-N 119.242 1.521 . . . . 0.0 113.119 -177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -72.68 0.25 11.22 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.833 2.453 . . . . 0.0 116.034 -176.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.7 m -121.78 168.25 12.05 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.008 -1.682 . . . . 0.0 114.622 -151.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.31 -164.45 11.85 Favored Glycine 0 CA--C 1.549 2.19 0 C-N-CA 128.176 2.798 . . . . 0.0 111.758 162.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.9 -21.95 63.84 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.781 1.632 . . . . 0.0 114.998 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -133.86 -64.17 0.71 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.42 1.888 . . . . 0.0 110.47 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.7 m -58.78 108.87 0.71 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.749 1.62 . . . . 0.0 112.269 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.4 t -147.04 153.86 40.5 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.52 0.934 . . . . 0.0 113.52 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.9 t -153.22 179.56 8.63 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.991 2.116 . . . . 0.0 111.273 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.7 t -132.05 161.67 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 127.601 2.36 . . . . 0.0 109.975 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -72.3 65.7 0.62 Allowed 'General case' 0 CA--C 1.557 1.214 0 O-C-N 120.508 -1.37 . . . . 0.0 111.461 169.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -134.98 5.17 3.3 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.564 1.946 . . . . 0.0 115.575 -171.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.43 -36.11 57.45 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 124.887 1.232 . . . . 0.0 115.478 -164.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p -75.32 -35.3 61.25 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.946 1.298 . . . . 0.0 113.785 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.55 91.59 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.82 -0.55 . . . . 0.0 112.415 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.9 mm -62.13 -42.24 94.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 124.039 0.936 . . . . 0.0 110.594 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.5 -47.31 90.62 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.014 0.816 . . . . 0.0 113.681 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -61.61 -42.34 98.73 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.295 1.038 . . . . 0.0 112.343 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.9 mt -57.51 -45.47 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.692 1.597 . . . . 0.0 111.425 171.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.65 95.68 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.134 0.874 . . . . 0.0 112.418 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.87 -38.57 86.04 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.472 1.109 . . . . 0.0 112.246 174.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -73.99 -35.11 64.41 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.27 87.01 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.194 -1.566 . . . . 0.0 110.878 165.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.69 -29.49 68.78 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.4 -32.73 11.01 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -174.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -133.67 -7.85 2.82 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.279 2.232 . . . . 0.0 112.301 -168.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 71.19 -58.53 0.57 Allowed 'General case' 0 C--N 1.349 0.569 0 C-N-CA 126.874 2.07 . . . . 0.0 115.486 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 46.36 44.65 12.91 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.554 1.542 . . . . 0.0 113.139 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.0 p 61.37 -1.6 0.28 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 130.827 3.651 . . . . 0.0 116.574 -174.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.02 -74.82 1.27 Allowed Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.945 1.736 . . . . 0.0 111.913 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.71 -1.43 29.94 Favored Glycine 0 CA--C 1.545 1.919 0 C-N-CA 125.567 1.556 . . . . 0.0 116.662 174.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -118.76 61.24 0.79 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.838 1.655 . . . . 0.0 111.08 -168.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 53.58 24.29 4.07 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 -173.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.86 -170.21 38.31 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 126.557 2.027 . . . . 0.0 113.375 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . 0.276 0.2 OUTLIER -125.55 -95.44 0.46 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.29 1.436 . . . . 0.0 111.092 -179.788 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -60.4 160.52 8.6 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.293 -0.879 . . . . 0.0 111.041 141.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt . . . . . 0 C--O 1.261 1.691 0 C-N-CA 125.828 1.651 . . . . 0.0 112.193 -177.541 . . . . . . . . 0 0 . 1 stop_ save_