data_1pir_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 1pir _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.99 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.65 89.48 0.11 Allowed 'General case' 0 N--CA 1.48 1.048 0 O-C-N 119.619 -1.926 . . . . 0.0 110.161 150.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.386 69.6 p-90 -146.15 -36.01 0.27 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 161.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -69.8 -4.03 18.24 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 120.825 1.648 . . . . 0.0 114.136 161.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.258 49.9 t80 -55.06 -40.55 70.44 Favored 'General case' 0 CA--C 1.591 2.554 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 149.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -64.39 -51.18 64.52 Favored 'General case' 0 N--CA 1.515 2.813 0 CA-C-N 124.042 3.11 . . . . 0.0 112.303 169.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.3 t -38.54 -48.39 1.41 Allowed 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 116.164 1.912 . . . . 0.0 116.164 157.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttt -53.08 -63.02 1.28 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.132 0.973 . . . . 0.0 113.066 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -72.51 -12.74 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.177 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -170.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -66.28 -59.41 3.75 Favored 'General case' 0 CA--C 1.576 1.947 0 CA-C-N 121.437 1.926 . . . . 0.0 111.818 164.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.283 1.3 m -28.22 -61.16 0.11 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 120.758 3.614 . . . . 0.0 120.758 157.734 -95.199 -130.891 67.852 104.358 1.982 108.209 -156.47 -27.79 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.16 -7.87 59.65 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 116.296 -1.812 . . . . 0.0 115.813 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.473 9.1 mt -121.72 80.98 40.67 Favored Pre-proline 0 N--CA 1.483 1.21 0 CA-C-N 122.269 2.304 . . . . 0.0 109.791 -166.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -53.97 102.95 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.207 0 C-N-CA 123.754 2.969 . . . . 0.0 113.325 155.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.56 -80.03 0.26 Allowed Glycine 0 CA--C 1.545 1.94 0 N-CA-C 114.978 0.751 . . . . 0.0 114.978 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -68.24 141.67 55.85 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -168.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -76.37 119.71 78.5 Favored Pre-proline 0 N--CA 1.496 1.866 0 C-N-CA 126.705 2.002 . . . . 0.0 112.685 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -27.52 -176.48 0.0 OUTLIER 'Trans proline' 0 CA--C 1.557 1.649 1 N-CA-C 125.925 5.317 . . . . 0.0 125.925 150.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -8.4 -43.29 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 121.067 3.729 . . . . 0.0 121.067 167.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.9 mtm -62.21 -52.68 62.79 Favored 'General case' 0 CA--C 1.586 2.364 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.144 -172.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -71.07 -51.29 26.09 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 153.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -67.64 -54.19 21.71 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 -163.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -58.81 -34.65 71.74 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -168.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -59.81 -40.13 87.37 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 171.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.6 164.87 22.35 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 -163.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.81 164.56 2.67 Favored Glycine 0 CA--C 1.549 2.208 0 CA-C-N 114.366 -1.288 . . . . 0.0 116.029 164.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.543 ' SG ' ' O ' ' A' ' 36' ' ' THR . 16.9 p -79.95 -31.4 39.98 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 118.868 2.914 . . . . 0.0 118.868 -161.29 72.505 142.9 54.729 101.368 2.006 105.047 116.606 -152.689 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . 0.259 2.2 p90 -135.82 68.46 1.45 Allowed 'General case' 0 CA--C 1.556 1.204 0 CA-C-N 119.251 0.932 . . . . 0.0 111.097 -162.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.1 t -117.36 19.72 13.94 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 -176.717 -157.905 46.715 86.438 110.117 2.005 111.087 160.719 -168.154 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.91 -131.23 2.31 Favored Glycine 0 CA--C 1.546 1.998 0 CA-C-N 119.869 1.213 . . . . 0.0 111.378 161.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.1 mt -117.78 121.58 41.17 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.77 -101.4 2.66 Favored Glycine 0 N--CA 1.483 1.789 0 CA-C-O 118.838 -0.979 . . . . 0.0 112.166 -171.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.2 -26.19 10.7 Favored Glycine 0 CA--C 1.547 2.085 0 N-CA-C 120.915 3.126 . . . . 0.0 120.915 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.6 p -61.62 101.02 0.16 Allowed 'General case' 0 CA--C 1.563 1.456 0 N-CA-C 118.301 2.704 . . . . 0.0 118.301 -146.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.17 -106.59 0.98 Allowed Glycine 0 CA--C 1.542 1.771 0 N-CA-C 107.122 -2.391 . . . . 0.0 107.122 143.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.543 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 0.7 OUTLIER -124.1 -152.82 0.02 OUTLIER Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 138.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -73.16 -130.36 0.01 OUTLIER 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 123.783 2.989 . . . . 0.0 108.799 158.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.8 m -160.59 -79.91 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.876 1 N-CA-C 99.252 -4.351 . . . . 0.0 99.252 -154.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -101.14 160.48 14.35 Favored 'General case' 0 CA--C 1.581 2.17 0 C-N-CA 124.899 1.28 . . . . 0.0 107.838 141.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -60.7 9.15 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.717 0 N-CA-C 119.755 3.243 . . . . 0.0 119.755 174.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.332 15.4 tp -89.56 -9.2 50.74 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 123.047 2.658 . . . . 0.0 115.778 163.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.86 -24.57 62.53 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 120.99 1.723 . . . . 0.0 115.067 136.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . 0.439 0.0 OUTLIER -67.68 -21.72 65.32 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 168.044 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 105' ' ' CYS . 95.0 m -81.11 -24.99 37.29 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 121.818 2.099 . . . . 0.0 116.148 161.895 -65.152 -77.197 -58.975 108.291 1.998 108.588 -63.196 -168.022 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.1 t -63.56 -40.71 97.7 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-O 116.323 -1.799 . . . . 0.0 113.386 158.704 -168.154 160.719 86.438 111.087 2.005 110.117 46.715 -157.905 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -42.65 -57.36 2.75 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 121.128 1.786 . . . . 0.0 114.376 171.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -69.17 -47.11 65.83 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.65 -174.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . 0.305 0.4 OUTLIER -62.95 -36.1 82.32 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 170.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . 0.254 1.9 p30 -71.97 -33.75 68.4 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.833 2.161 . . . . 0.0 116.833 171.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -81.27 -16.58 52.15 Favored 'General case' 0 CA--C 1.578 2.043 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 169.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.2 t -78.33 -42.49 30.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.772 -1.205 . . . . 0.0 113.366 162.443 -167.551 -87.1 -62.875 106.022 1.979 107.321 -55.481 -53.698 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -57.54 -29.62 64.52 Favored 'General case' 0 CA--C 1.578 2.041 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 160.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -56.57 -50.18 72.68 Favored 'General case' 0 N--CA 1.5 2.036 0 CA-C-N 120.14 1.337 . . . . 0.0 113.479 160.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -66.87 -21.46 66.01 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.51 -40.52 85.13 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 165.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.258 28.4 pttt -57.01 -32.07 65.77 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-N 122.222 2.283 . . . . 0.0 116.395 167.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -69.27 -12.23 61.49 Favored 'General case' 0 CA--C 1.572 1.814 0 N-CA-C 118.597 2.814 . . . . 0.0 118.597 169.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.7 tp -82.89 113.37 20.46 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -136.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -59.98 -28.86 68.03 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 118.122 2.638 . . . . 0.0 118.122 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.6 m -67.6 -63.89 0.97 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 120.902 1.683 . . . . 0.0 114.136 -176.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 m -117.73 101.21 8.14 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 165.63 -48.081 124.323 -64.88 106.607 1.99 106.864 -146.582 70.511 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -96.62 146.66 24.64 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -159.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.56 51.65 2.15 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -153.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.66 -20.49 64.45 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 114.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 m -74.61 91.3 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 162.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.94 -46.94 87.1 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 -153.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -151.66 88.66 4.23 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -92.13 59.74 0.8 Allowed 'Trans proline' 0 CA--C 1.568 2.205 0 C-N-CA 123.666 2.911 . . . . 0.0 113.533 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -87.27 -12.74 45.74 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 117.42 2.378 . . . . 0.0 117.42 -172.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.279 1.0 OUTLIER -156.09 -18.52 0.1 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 159.019 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.39 79.3 9.45 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 120.642 1.564 . . . . 0.0 107.908 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.5 p 158.25 -66.46 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 125.002 1.321 . . . . 0.0 108.318 -146.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -125.47 160.27 29.9 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 123.274 1.512 . . . . 0.0 114.308 -173.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 t -134.77 -158.68 0.9 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 112.956 -1.929 . . . . 0.0 106.964 151.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . 0.257 8.4 p90 -146.19 171.18 15.32 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -163.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.315 5.3 m -112.44 159.66 18.52 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 111.72 -2.491 . . . . 0.0 113.303 171.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . 0.301 1.0 OUTLIER -119.24 -158.96 0.75 Allowed 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 118.081 -0.962 . . . . 0.0 111.827 177.974 -27.79 -156.47 67.852 108.209 1.982 104.358 -130.891 -95.199 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 t -171.42 17.09 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 2 O-C-N 112.903 -6.123 . . . . 0.0 117.848 31.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -68.58 -91.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.828 1.251 . . . . 0.0 107.86 160.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -71.03 -55.34 8.47 Favored 'General case' 0 CA--C 1.576 1.957 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 102.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . 0.279 10.4 tp10 17.5 50.31 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 121.67 3.952 . . . . 0.0 121.67 -169.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.331 38.2 mt -80.71 138.69 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 119.573 -1.954 . . . . 0.0 110.308 177.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.4 14.8 t -138.54 -97.79 0.18 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 112.747 -2.024 . . . . 0.0 106.661 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -170.54 170.01 7.05 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 123.752 1.739 . . . . 0.0 108.305 -159.888 -146.595 101.482 -97.586 105.14 1.99 108.712 -178.774 71.323 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -58.94 124.07 18.64 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 113.859 -1.519 . . . . 0.0 110.29 159.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.8 t -86.27 -18.46 31.98 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-N 113.1 -1.863 . . . . 0.0 115.13 -140.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -37.67 -21.77 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 121.097 3.74 . . . . 0.0 121.097 140.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . 0.265 6.7 t30 -1.04 117.24 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 131.269 3.828 . . . . 0.0 118.904 -165.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -90.39 -137.89 0.14 Allowed 'General case' 0 CA--C 1.576 1.956 0 C-N-CA 124.176 0.99 . . . . 0.0 112.853 -161.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.31 -66.19 0.93 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 119.565 1.075 . . . . 0.0 112.451 169.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.12 -34.61 14.98 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -178.122 70.511 -146.582 -64.88 106.864 1.99 106.607 124.323 -48.081 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 42.5 mt-10 -49.58 -46.37 48.92 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 120.185 1.357 . . . . 0.0 113.212 157.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.59 -54.1 50.64 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 168.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -55.67 -55.65 29.66 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 120.914 1.688 . . . . 0.0 115.193 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.6 mm -69.55 -36.83 72.94 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 CA-C-O 117.465 -1.255 . . . . 0.0 112.109 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 92' ' ' GLU . 18.2 p -65.22 -28.34 69.3 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 163.333 71.323 -178.774 -97.586 108.712 1.99 105.14 101.482 -146.595 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -72.78 -23.82 60.85 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 168.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.0 m -75.31 -55.98 5.16 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.356 0.98 . . . . 0.0 113.416 162.518 -53.698 -55.481 -62.875 107.321 1.979 106.022 -87.1 -167.551 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -12.88 5.02 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 169.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . 0.294 16.2 ptt180 -71.05 -58.78 3.23 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 119.923 1.238 . . . . 0.0 110.995 162.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -60.07 -45.52 92.64 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 116.884 -1.531 . . . . 0.0 113.221 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -20.79 -69.41 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 145.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.97 -58.7 4.44 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.9 mt -42.22 -50.95 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 166.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.512 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 18.7 t -81.77 -21.49 37.78 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -166.941 -168.022 -63.196 -58.975 108.588 1.998 108.291 -77.197 -65.152 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.587 0.1 OUTLIER -62.0 -19.78 63.19 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 117.956 2.576 . . . . 0.0 117.956 154.259 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.8 t -88.04 -30.42 19.95 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 158.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -69.64 -46.81 65.33 Favored 'General case' 0 CA--C 1.579 2.064 0 CA-C-N 121.368 1.895 . . . . 0.0 113.675 174.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.37 140.97 60.93 Favored Pre-proline 0 CA--C 1.585 2.32 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -171.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -33.9 115.72 0.09 OUTLIER 'Trans proline' 0 N--CA 1.501 1.923 1 C-N-CA 125.361 4.041 . . . . 0.0 117.18 140.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -85.54 153.82 22.17 Favored 'General case' 0 CA--C 1.57 1.738 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -165.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.76 101.49 14.07 Favored 'General case' 0 N--CA 1.502 2.175 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 169.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -84.48 5.94 25.49 Favored 'General case' 0 CA--C 1.6 2.896 0 N-CA-C 117.983 2.586 . . . . 0.0 117.983 160.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -153.07 -64.79 0.15 Allowed 'General case' 0 N--CA 1.509 2.479 0 O-C-N 116.796 -3.69 . . . . 0.0 103.951 -127.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.8 12.08 0.31 Allowed 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 113.089 -1.868 . . . . 0.0 114.523 156.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . 0.404 82.2 tttt -69.48 -18.55 63.71 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -162.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -144.49 97.98 3.13 Favored 'General case' 0 CA--C 1.561 1.37 0 N-CA-C 103.333 -2.839 . . . . 0.0 103.333 144.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . 0.325 0.8 OUTLIER -81.2 167.7 19.33 Favored 'General case' 0 CA--C 1.568 1.638 1 CA-C-O 128.621 4.058 . . . . 0.0 116.199 -146.897 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . 0.454 19.3 m-20 -75.27 -39.29 59.9 Favored 'General case' 0 CA--C 1.559 1.309 2 CA-C-N 103.35 -6.296 . . . . 0.0 115.73 -176.959 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . 0.441 9.4 t -49.69 76.8 0.0 OUTLIER 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 119.739 3.237 . . . . 0.0 119.739 -133.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . 0.312 0.1 OUTLIER -90.61 26.53 1.99 Allowed 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 123.214 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.7 -72.44 0.46 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.204 1.802 . . . . 0.0 106.779 -152.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . 0.519 23.5 m-85 -93.23 6.1 49.23 Favored 'General case' 0 CA--C 1.56 1.354 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -152.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 123.909 1.814 . . . . 0.0 110.87 -150.475 -152.689 116.606 54.729 105.047 2.006 101.368 142.9 72.505 0 0 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.99 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.446 HD11 ' HE2' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -65.65 89.48 0.11 Allowed 'General case' 0 N--CA 1.48 1.048 0 O-C-N 119.619 -1.926 . . . . 0.0 110.161 150.257 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.386 69.6 p-90 -146.15 -36.01 0.27 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 161.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.427 ' H ' HG21 ' A' ' 70' ' ' THR . 3.9 tp60 -69.8 -4.03 18.24 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 120.825 1.648 . . . . 0.0 114.136 161.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.632 ' HE1' ' HB1' ' A' ' 102' ' ' ALA 0.258 49.9 t80 -55.06 -40.55 70.44 Favored 'General case' 0 CA--C 1.591 2.554 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 149.046 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.517 ' HG3' HD21 ' A' ' 19' ' ' LEU . 1.4 mpp_? -64.39 -51.18 64.52 Favored 'General case' 0 N--CA 1.515 2.813 0 CA-C-N 124.042 3.11 . . . . 0.0 112.303 169.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.3 t -38.54 -48.39 1.41 Allowed 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 116.164 1.912 . . . . 0.0 116.164 157.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttt -53.08 -63.02 1.28 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.132 0.973 . . . . 0.0 113.066 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.575 HD11 ' CZ ' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -72.51 -12.74 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.177 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -170.384 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' CE ' ' HG2' ' A' ' 18' ' ' PRO . 2.7 mmmm -66.28 -59.41 3.75 Favored 'General case' 0 CA--C 1.576 1.947 0 CA-C-N 121.437 1.926 . . . . 0.0 111.818 164.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' HB3' HD11 ' A' ' 82' ' ' ILE 0.283 1.3 m -28.22 -61.16 0.11 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 120.758 3.614 . . . . 0.0 120.758 157.734 -95.199 -130.891 67.852 104.358 1.982 108.209 -156.47 -27.79 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.16 -7.87 59.65 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 116.296 -1.812 . . . . 0.0 115.813 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.495 HD12 HG22 ' A' ' 9' ' ' ILE 0.473 9.1 mt -121.72 80.98 40.67 Favored Pre-proline 0 N--CA 1.483 1.21 0 CA-C-N 122.269 2.304 . . . . 0.0 109.791 -166.637 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -53.97 102.95 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.207 0 C-N-CA 123.754 2.969 . . . . 0.0 113.325 155.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.56 -80.03 0.26 Allowed Glycine 0 CA--C 1.545 1.94 0 N-CA-C 114.978 0.751 . . . . 0.0 114.978 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -68.24 141.67 55.85 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -168.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -76.37 119.71 78.5 Favored Pre-proline 0 N--CA 1.496 1.866 0 C-N-CA 126.705 2.002 . . . . 0.0 112.685 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.65 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -27.52 -176.48 0.0 OUTLIER 'Trans proline' 0 CA--C 1.557 1.649 1 N-CA-C 125.925 5.317 . . . . 0.0 125.925 150.766 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.656 ' H ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -8.4 -43.29 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 121.067 3.729 . . . . 0.0 121.067 167.022 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.9 mtm -62.21 -52.68 62.79 Favored 'General case' 0 CA--C 1.586 2.364 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.144 -172.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -71.07 -51.29 26.09 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 153.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.65 ' CD2' ' HA ' ' A' ' 18' ' ' PRO . 19.4 m-30 -67.64 -54.19 21.71 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 -163.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -58.81 -34.65 71.74 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -168.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -59.81 -40.13 87.37 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 171.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.509 ' HB3' ' HA ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -69.6 164.87 22.35 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 -163.528 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.647 ' HA2' HG21 ' A' ' 38' ' ' VAL . . . 67.81 164.56 2.67 Favored Glycine 0 CA--C 1.549 2.208 0 CA-C-N 114.366 -1.288 . . . . 0.0 116.029 164.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.559 ' HB2' HG21 ' A' ' 120' ' ' THR . 16.9 p -79.95 -31.4 39.98 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 118.868 2.914 . . . . 0.0 118.868 -161.29 72.505 142.9 54.729 101.368 2.006 105.047 116.606 -152.689 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . 0.259 2.2 p90 -135.82 68.46 1.45 Allowed 'General case' 0 CA--C 1.556 1.204 0 CA-C-N 119.251 0.932 . . . . 0.0 111.097 -162.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.1 t -117.36 19.72 13.94 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 -176.717 -157.905 46.715 86.438 110.117 2.005 111.087 160.719 -168.154 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.91 -131.23 2.31 Favored Glycine 0 CA--C 1.546 1.998 0 CA-C-N 119.869 1.213 . . . . 0.0 111.378 161.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.1 mt -117.78 121.58 41.17 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.77 -101.4 2.66 Favored Glycine 0 N--CA 1.483 1.789 0 CA-C-O 118.838 -0.979 . . . . 0.0 112.166 -171.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.2 -26.19 10.7 Favored Glycine 0 CA--C 1.547 2.085 0 N-CA-C 120.915 3.126 . . . . 0.0 120.915 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.6 p -61.62 101.02 0.16 Allowed 'General case' 0 CA--C 1.563 1.456 0 N-CA-C 118.301 2.704 . . . . 0.0 118.301 -146.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.17 -106.59 0.98 Allowed Glycine 0 CA--C 1.542 1.771 0 N-CA-C 107.122 -2.391 . . . . 0.0 107.122 143.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.543 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 0.7 OUTLIER -124.1 -152.82 0.02 OUTLIER Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 138.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HB2' ' H ' ' A' ' 38' ' ' VAL . 4.8 Cg_exo -73.16 -130.36 0.01 OUTLIER 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 123.783 2.989 . . . . 0.0 108.799 158.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.647 HG21 ' HA2' ' A' ' 26' ' ' GLY . 17.8 m -160.59 -79.91 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.876 1 N-CA-C 99.252 -4.351 . . . . 0.0 99.252 -154.423 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.533 ' H ' HG23 ' A' ' 38' ' ' VAL . 25.5 t0 -101.14 160.48 14.35 Favored 'General case' 0 CA--C 1.581 2.17 0 C-N-CA 124.899 1.28 . . . . 0.0 107.838 141.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 43' ' ' ARG . 2.0 pm0 -60.7 9.15 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.717 0 N-CA-C 119.755 3.243 . . . . 0.0 119.755 174.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 106' ' ' PHE 0.332 15.4 tp -89.56 -9.2 50.74 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 123.047 2.658 . . . . 0.0 115.778 163.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.86 -24.57 62.53 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 120.99 1.723 . . . . 0.0 115.067 136.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.546 ' HB2' ' HA ' ' A' ' 40' ' ' GLU 0.439 0.0 OUTLIER -67.68 -21.72 65.32 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 168.044 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 105' ' ' CYS . 95.0 m -81.11 -24.99 37.29 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 121.818 2.099 . . . . 0.0 116.148 161.895 -65.152 -77.197 -58.975 108.291 1.998 108.588 -63.196 -168.022 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.1 t -63.56 -40.71 97.7 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-O 116.323 -1.799 . . . . 0.0 113.386 158.704 -168.154 160.719 86.438 111.087 2.005 110.117 46.715 -157.905 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -42.65 -57.36 2.75 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 121.128 1.786 . . . . 0.0 114.376 171.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -69.17 -47.11 65.83 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.65 -174.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.416 ' CD2' ' HB2' ' A' ' 102' ' ' ALA 0.305 0.4 OUTLIER -62.95 -36.1 82.32 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 170.624 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . 0.254 1.9 p30 -71.97 -33.75 68.4 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.833 2.161 . . . . 0.0 116.833 171.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -81.27 -16.58 52.15 Favored 'General case' 0 CA--C 1.578 2.043 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 169.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.2 t -78.33 -42.49 30.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.772 -1.205 . . . . 0.0 113.366 162.443 -167.551 -87.1 -62.875 106.022 1.979 107.321 -55.481 -53.698 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.446 ' HE2' HD11 ' A' ' 2' ' ' LEU . 4.7 m-30 -57.54 -29.62 64.52 Favored 'General case' 0 CA--C 1.578 2.041 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 160.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -56.57 -50.18 72.68 Favored 'General case' 0 N--CA 1.5 2.036 0 CA-C-N 120.14 1.337 . . . . 0.0 113.479 160.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -66.87 -21.46 66.01 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.51 -40.52 85.13 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 165.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.258 28.4 pttt -57.01 -32.07 65.77 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-N 122.222 2.283 . . . . 0.0 116.395 167.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -69.27 -12.23 61.49 Favored 'General case' 0 CA--C 1.572 1.814 0 N-CA-C 118.597 2.814 . . . . 0.0 118.597 169.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 94' ' ' PHE . 11.7 tp -82.89 113.37 20.46 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -136.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -59.98 -28.86 68.03 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 118.122 2.638 . . . . 0.0 118.122 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.6 m -67.6 -63.89 0.97 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 120.902 1.683 . . . . 0.0 114.136 -176.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 m -117.73 101.21 8.14 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 165.63 -48.081 124.323 -64.88 106.607 1.99 106.864 -146.582 70.511 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -96.62 146.66 24.64 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -159.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.56 51.65 2.15 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -153.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.66 -20.49 64.45 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 114.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 m -74.61 91.3 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 162.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.94 -46.94 87.1 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 -153.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -151.66 88.66 4.23 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -92.13 59.74 0.8 Allowed 'Trans proline' 0 CA--C 1.568 2.205 0 C-N-CA 123.666 2.911 . . . . 0.0 113.533 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -87.27 -12.74 45.74 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 117.42 2.378 . . . . 0.0 117.42 -172.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.427 HG21 ' H ' ' A' ' 4' ' ' GLN 0.279 1.0 OUTLIER -156.09 -18.52 0.1 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 159.019 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.39 79.3 9.45 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 120.642 1.564 . . . . 0.0 107.908 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.5 p 158.25 -66.46 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 125.002 1.321 . . . . 0.0 108.318 -146.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -125.47 160.27 29.9 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 123.274 1.512 . . . . 0.0 114.308 -173.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 t -134.77 -158.68 0.9 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 112.956 -1.929 . . . . 0.0 106.964 151.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . 0.257 8.4 p90 -146.19 171.18 15.32 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -163.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 82' ' ' ILE 0.315 5.3 m -112.44 159.66 18.52 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 111.72 -2.491 . . . . 0.0 113.303 171.698 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . 0.301 1.0 OUTLIER -119.24 -158.96 0.75 Allowed 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 118.081 -0.962 . . . . 0.0 111.827 177.974 -27.79 -156.47 67.852 108.209 1.982 104.358 -130.891 -95.199 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.534 ' H ' ' HB3' ' A' ' 81' ' ' GLU . 5.4 t -171.42 17.09 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 2 O-C-N 112.903 -6.123 . . . . 0.0 117.848 31.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -68.58 -91.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.828 1.251 . . . . 0.0 107.86 160.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -71.03 -55.34 8.47 Favored 'General case' 0 CA--C 1.576 1.957 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 102.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.534 ' HB3' ' H ' ' A' ' 78' ' ' SER 0.279 10.4 tp10 17.5 50.31 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 121.67 3.952 . . . . 0.0 121.67 -169.058 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.455 HG22 ' HB2' ' A' ' 100' ' ' ARG 0.331 38.2 mt -80.71 138.69 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 119.573 -1.954 . . . . 0.0 110.308 177.263 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.4 14.8 t -138.54 -97.79 0.18 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 112.747 -2.024 . . . . 0.0 106.661 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -170.54 170.01 7.05 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 123.752 1.739 . . . . 0.0 108.305 -159.888 -146.595 101.482 -97.586 105.14 1.99 108.712 -178.774 71.323 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -58.94 124.07 18.64 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 113.859 -1.519 . . . . 0.0 110.29 159.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.8 t -86.27 -18.46 31.98 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-N 113.1 -1.863 . . . . 0.0 115.13 -140.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -37.67 -21.77 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 121.097 3.74 . . . . 0.0 121.097 140.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . 0.265 6.7 t30 -1.04 117.24 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 131.269 3.828 . . . . 0.0 118.904 -165.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -90.39 -137.89 0.14 Allowed 'General case' 0 CA--C 1.576 1.956 0 C-N-CA 124.176 0.99 . . . . 0.0 112.853 -161.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.31 -66.19 0.93 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 119.565 1.075 . . . . 0.0 112.451 169.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.12 -34.61 14.98 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -178.122 70.511 -146.582 -64.88 106.864 1.99 106.607 124.323 -48.081 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 42.5 mt-10 -49.58 -46.37 48.92 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 120.185 1.357 . . . . 0.0 113.212 157.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.487 ' HA ' ' SG ' ' A' ' 96' ' ' CYS . . . -57.59 -54.1 50.64 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 168.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 58' ' ' LEU . 2.3 t80 -55.67 -55.65 29.66 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 120.914 1.688 . . . . 0.0 115.193 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.6 mm -69.55 -36.83 72.94 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 CA-C-O 117.465 -1.255 . . . . 0.0 112.109 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 93' ' ' ALA . 18.2 p -65.22 -28.34 69.3 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 163.333 71.323 -178.774 -97.586 108.712 1.99 105.14 101.482 -146.595 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -72.78 -23.82 60.85 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 168.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.0 m -75.31 -55.98 5.16 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.356 0.98 . . . . 0.0 113.416 162.518 -53.698 -55.481 -62.875 107.321 1.979 106.022 -87.1 -167.551 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -12.88 5.02 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 169.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 104' ' ' ILE 0.294 16.2 ptt180 -71.05 -58.78 3.23 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 119.923 1.238 . . . . 0.0 110.995 162.708 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -60.07 -45.52 92.64 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 116.884 -1.531 . . . . 0.0 113.221 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.632 ' HB1' ' HE1' ' A' ' 5' ' ' PHE . . . -20.79 -69.41 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 145.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.97 -58.7 4.44 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 100' ' ' ARG . 3.9 mt -42.22 -50.95 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 166.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.512 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 18.7 t -81.77 -21.49 37.78 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -166.941 -168.022 -63.196 -58.975 108.588 1.998 108.291 -77.197 -65.152 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 41' ' ' LEU 0.587 0.1 OUTLIER -62.0 -19.78 63.19 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 117.956 2.576 . . . . 0.0 117.956 154.259 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.8 t -88.04 -30.42 19.95 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 158.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -69.64 -46.81 65.33 Favored 'General case' 0 CA--C 1.579 2.064 0 CA-C-N 121.368 1.895 . . . . 0.0 113.675 174.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.37 140.97 60.93 Favored Pre-proline 0 CA--C 1.585 2.32 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -171.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -33.9 115.72 0.09 OUTLIER 'Trans proline' 0 N--CA 1.501 1.923 1 C-N-CA 125.361 4.041 . . . . 0.0 117.18 140.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -85.54 153.82 22.17 Favored 'General case' 0 CA--C 1.57 1.738 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -165.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.76 101.49 14.07 Favored 'General case' 0 N--CA 1.502 2.175 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 169.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -84.48 5.94 25.49 Favored 'General case' 0 CA--C 1.6 2.896 0 N-CA-C 117.983 2.586 . . . . 0.0 117.983 160.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.426 ' HG3' ' H ' ' A' ' 115' ' ' HIS . 1.4 pt-20 -153.07 -64.79 0.15 Allowed 'General case' 0 N--CA 1.509 2.479 0 O-C-N 116.796 -3.69 . . . . 0.0 103.951 -127.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.512 ' HB3' HD13 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -70.8 12.08 0.31 Allowed 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 113.089 -1.868 . . . . 0.0 114.523 156.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.509 ' HA ' ' HB3' ' A' ' 25' ' ' TYR 0.404 82.2 tttt -69.48 -18.55 63.71 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -162.039 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -144.49 97.98 3.13 Favored 'General case' 0 CA--C 1.561 1.37 0 N-CA-C 103.333 -2.839 . . . . 0.0 103.333 144.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.945 HD12 ' HB2' ' A' ' 119' ' ' ASP 0.325 0.8 OUTLIER -81.2 167.7 19.33 Favored 'General case' 0 CA--C 1.568 1.638 1 CA-C-O 128.621 4.058 . . . . 0.0 116.199 -146.897 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.945 ' HB2' HD12 ' A' ' 118' ' ' LEU 0.454 19.3 m-20 -75.27 -39.29 59.9 Favored 'General case' 0 CA--C 1.559 1.309 2 CA-C-N 103.35 -6.296 . . . . 0.0 115.73 -176.959 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.559 HG21 ' HB2' ' A' ' 27' ' ' CYS 0.441 9.4 t -49.69 76.8 0.0 OUTLIER 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 119.739 3.237 . . . . 0.0 119.739 -133.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.504 ' CE ' ' HD2' ' A' ' 122' ' ' LYS 0.312 0.1 OUTLIER -90.61 26.53 1.99 Allowed 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 123.214 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.606 ' CE ' ' HB3' ' A' ' 119' ' ' ASP . 0.8 OUTLIER -135.7 -72.44 0.46 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.204 1.802 . . . . 0.0 106.779 -152.421 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.523 ' HD2' ' CD1' ' A' ' 118' ' ' LEU 0.519 23.5 m-85 -93.23 6.1 49.23 Favored 'General case' 0 CA--C 1.56 1.354 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -152.166 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 123.909 1.814 . . . . 0.0 110.87 -150.475 -152.689 116.606 54.729 105.047 2.006 101.368 142.9 72.505 0 0 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.99 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.446 HD11 ' HE2' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -65.65 89.48 0.11 Allowed 'General case' 0 N--CA 1.48 1.048 0 O-C-N 119.619 -1.926 . . . . 0.0 110.161 150.257 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.386 69.6 p-90 -146.15 -36.01 0.27 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 161.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.427 ' H ' HG21 ' A' ' 70' ' ' THR . 3.9 tp60 -69.8 -4.03 18.24 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 120.825 1.648 . . . . 0.0 114.136 161.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.632 ' HE1' ' HB1' ' A' ' 102' ' ' ALA 0.258 49.9 t80 -55.06 -40.55 70.44 Favored 'General case' 0 CA--C 1.591 2.554 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 149.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.517 ' HG3' HD21 ' A' ' 19' ' ' LEU . 1.4 mpp_? -64.39 -51.18 64.52 Favored 'General case' 0 N--CA 1.515 2.813 0 CA-C-N 124.042 3.11 . . . . 0.0 112.303 169.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.3 t -38.54 -48.39 1.41 Allowed 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 116.164 1.912 . . . . 0.0 116.164 157.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttt -53.08 -63.02 1.28 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.132 0.973 . . . . 0.0 113.066 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.575 HD11 ' CZ ' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -72.51 -12.74 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.177 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -170.384 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' CE ' ' HG2' ' A' ' 18' ' ' PRO . 2.7 mmmm -66.28 -59.41 3.75 Favored 'General case' 0 CA--C 1.576 1.947 0 CA-C-N 121.437 1.926 . . . . 0.0 111.818 164.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' HB3' HD11 ' A' ' 82' ' ' ILE 0.283 1.3 m -28.22 -61.16 0.11 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 120.758 3.614 . . . . 0.0 120.758 157.734 -95.199 -130.891 67.852 104.358 1.982 108.209 -156.47 -27.79 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.16 -7.87 59.65 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 116.296 -1.812 . . . . 0.0 115.813 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.495 HD12 HG22 ' A' ' 9' ' ' ILE 0.473 9.1 mt -121.72 80.98 40.67 Favored Pre-proline 0 N--CA 1.483 1.21 0 CA-C-N 122.269 2.304 . . . . 0.0 109.791 -166.637 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -53.97 102.95 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.207 0 C-N-CA 123.754 2.969 . . . . 0.0 113.325 155.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.56 -80.03 0.26 Allowed Glycine 0 CA--C 1.545 1.94 0 N-CA-C 114.978 0.751 . . . . 0.0 114.978 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -68.24 141.67 55.85 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -168.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -76.37 119.71 78.5 Favored Pre-proline 0 N--CA 1.496 1.866 0 C-N-CA 126.705 2.002 . . . . 0.0 112.685 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.65 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -27.52 -176.48 0.0 OUTLIER 'Trans proline' 0 CA--C 1.557 1.649 1 N-CA-C 125.925 5.317 . . . . 0.0 125.925 150.766 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.656 HD13 ' H ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -8.4 -43.29 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 121.067 3.729 . . . . 0.0 121.067 167.022 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.9 mtm -62.21 -52.68 62.79 Favored 'General case' 0 CA--C 1.586 2.364 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.144 -172.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -71.07 -51.29 26.09 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 153.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.65 ' CD2' ' HA ' ' A' ' 18' ' ' PRO . 19.4 m-30 -67.64 -54.19 21.71 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 -163.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -58.81 -34.65 71.74 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -168.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -59.81 -40.13 87.37 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 171.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.509 ' HB3' ' HA ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -69.6 164.87 22.35 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 -163.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.647 ' HA2' HG21 ' A' ' 38' ' ' VAL . . . 67.81 164.56 2.67 Favored Glycine 0 CA--C 1.549 2.208 0 CA-C-N 114.366 -1.288 . . . . 0.0 116.029 164.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.559 ' HB2' HG21 ' A' ' 120' ' ' THR . 16.9 p -79.95 -31.4 39.98 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 118.868 2.914 . . . . 0.0 118.868 -161.29 72.505 142.9 54.729 101.368 2.006 105.047 116.606 -152.689 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . 0.259 2.2 p90 -135.82 68.46 1.45 Allowed 'General case' 0 CA--C 1.556 1.204 0 CA-C-N 119.251 0.932 . . . . 0.0 111.097 -162.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.1 t -117.36 19.72 13.94 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 -176.717 -157.905 46.715 86.438 110.117 2.005 111.087 160.719 -168.154 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.91 -131.23 2.31 Favored Glycine 0 CA--C 1.546 1.998 0 CA-C-N 119.869 1.213 . . . . 0.0 111.378 161.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.1 mt -117.78 121.58 41.17 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.77 -101.4 2.66 Favored Glycine 0 N--CA 1.483 1.789 0 CA-C-O 118.838 -0.979 . . . . 0.0 112.166 -171.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.2 -26.19 10.7 Favored Glycine 0 CA--C 1.547 2.085 0 N-CA-C 120.915 3.126 . . . . 0.0 120.915 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 90.6 p -61.62 101.02 0.16 Allowed 'General case' 0 CA--C 1.563 1.456 0 N-CA-C 118.301 2.704 . . . . 0.0 118.301 -146.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.17 -106.59 0.98 Allowed Glycine 0 CA--C 1.542 1.771 0 N-CA-C 107.122 -2.391 . . . . 0.0 107.122 143.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.543 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 0.7 OUTLIER -124.1 -152.82 0.02 OUTLIER Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 138.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HB2' ' H ' ' A' ' 38' ' ' VAL . 4.8 Cg_exo -73.16 -130.36 0.01 OUTLIER 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 123.783 2.989 . . . . 0.0 108.799 158.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.647 HG21 ' HA2' ' A' ' 26' ' ' GLY . 17.8 m -160.59 -79.91 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.876 1 N-CA-C 99.252 -4.351 . . . . 0.0 99.252 -154.423 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.533 ' H ' HG23 ' A' ' 38' ' ' VAL . 25.5 t0 -101.14 160.48 14.35 Favored 'General case' 0 CA--C 1.581 2.17 0 C-N-CA 124.899 1.28 . . . . 0.0 107.838 141.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 43' ' ' ARG . 2.0 pm0 -60.7 9.15 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.717 0 N-CA-C 119.755 3.243 . . . . 0.0 119.755 174.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 106' ' ' PHE 0.332 15.4 tp -89.56 -9.2 50.74 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 123.047 2.658 . . . . 0.0 115.778 163.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.86 -24.57 62.53 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 120.99 1.723 . . . . 0.0 115.067 136.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.546 ' HB2' ' HA ' ' A' ' 40' ' ' GLU 0.439 0.0 OUTLIER -67.68 -21.72 65.32 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 168.044 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 105' ' ' CYS . 95.0 m -81.11 -24.99 37.29 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 121.818 2.099 . . . . 0.0 116.148 161.895 -65.152 -77.197 -58.975 108.291 1.998 108.588 -63.196 -168.022 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.1 t -63.56 -40.71 97.7 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-O 116.323 -1.799 . . . . 0.0 113.386 158.704 -168.154 160.719 86.438 111.087 2.005 110.117 46.715 -157.905 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -42.65 -57.36 2.75 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 121.128 1.786 . . . . 0.0 114.376 171.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.9 m -69.17 -47.11 65.83 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.65 -174.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.416 ' CD2' ' HB2' ' A' ' 102' ' ' ALA 0.305 0.4 OUTLIER -62.95 -36.1 82.32 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 170.624 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . 0.254 1.9 p30 -71.97 -33.75 68.4 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.833 2.161 . . . . 0.0 116.833 171.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -81.27 -16.58 52.15 Favored 'General case' 0 CA--C 1.578 2.043 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 169.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.2 t -78.33 -42.49 30.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.772 -1.205 . . . . 0.0 113.366 162.443 -167.551 -87.1 -62.875 106.022 1.979 107.321 -55.481 -53.698 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.446 ' HE2' HD11 ' A' ' 2' ' ' LEU . 4.7 m-30 -57.54 -29.62 64.52 Favored 'General case' 0 CA--C 1.578 2.041 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 160.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -56.57 -50.18 72.68 Favored 'General case' 0 N--CA 1.5 2.036 0 CA-C-N 120.14 1.337 . . . . 0.0 113.479 160.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -66.87 -21.46 66.01 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.51 -40.52 85.13 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 165.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.258 28.4 pttt -57.01 -32.07 65.77 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-N 122.222 2.283 . . . . 0.0 116.395 167.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -69.27 -12.23 61.49 Favored 'General case' 0 CA--C 1.572 1.814 0 N-CA-C 118.597 2.814 . . . . 0.0 118.597 169.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 94' ' ' PHE . 11.7 tp -82.89 113.37 20.46 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -136.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -59.98 -28.86 68.03 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 118.122 2.638 . . . . 0.0 118.122 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.6 m -67.6 -63.89 0.97 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 120.902 1.683 . . . . 0.0 114.136 -176.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 m -117.73 101.21 8.14 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 165.63 -48.081 124.323 -64.88 106.607 1.99 106.864 -146.582 70.511 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -96.62 146.66 24.64 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -159.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.56 51.65 2.15 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -153.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.66 -20.49 64.45 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 114.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 m -74.61 91.3 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 162.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.94 -46.94 87.1 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 -153.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -151.66 88.66 4.23 Favored Pre-proline 0 N--CA 1.49 1.553 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -92.13 59.74 0.8 Allowed 'Trans proline' 0 CA--C 1.568 2.205 0 C-N-CA 123.666 2.911 . . . . 0.0 113.533 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -87.27 -12.74 45.74 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 117.42 2.378 . . . . 0.0 117.42 -172.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.427 HG21 ' H ' ' A' ' 4' ' ' GLN 0.279 1.0 OUTLIER -156.09 -18.52 0.1 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 159.019 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.39 79.3 9.45 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 120.642 1.564 . . . . 0.0 107.908 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.5 p 158.25 -66.46 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 125.002 1.321 . . . . 0.0 108.318 -146.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -125.47 160.27 29.9 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 123.274 1.512 . . . . 0.0 114.308 -173.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 t -134.77 -158.68 0.9 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 112.956 -1.929 . . . . 0.0 106.964 151.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . 0.257 8.4 p90 -146.19 171.18 15.32 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -163.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 82' ' ' ILE 0.315 5.3 m -112.44 159.66 18.52 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 111.72 -2.491 . . . . 0.0 113.303 171.698 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . 0.301 1.0 OUTLIER -119.24 -158.96 0.75 Allowed 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 118.081 -0.962 . . . . 0.0 111.827 177.974 -27.79 -156.47 67.852 108.209 1.982 104.358 -130.891 -95.199 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.534 ' H ' ' HB3' ' A' ' 81' ' ' GLU . 5.4 t -171.42 17.09 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 2 O-C-N 112.903 -6.123 . . . . 0.0 117.848 31.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -68.58 -91.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.828 1.251 . . . . 0.0 107.86 160.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -71.03 -55.34 8.47 Favored 'General case' 0 CA--C 1.576 1.957 0 N-CA-C 118.699 2.851 . . . . 0.0 118.699 102.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.534 ' HB3' ' H ' ' A' ' 78' ' ' SER 0.279 10.4 tp10 17.5 50.31 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 121.67 3.952 . . . . 0.0 121.67 -169.058 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.455 HG22 ' HB2' ' A' ' 100' ' ' ARG 0.331 38.2 mt -80.71 138.69 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 119.573 -1.954 . . . . 0.0 110.308 177.263 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.4 14.8 t -138.54 -97.79 0.18 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 112.747 -2.024 . . . . 0.0 106.661 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -170.54 170.01 7.05 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 123.752 1.739 . . . . 0.0 108.305 -159.888 -146.595 101.482 -97.586 105.14 1.99 108.712 -178.774 71.323 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -58.94 124.07 18.64 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 113.859 -1.519 . . . . 0.0 110.29 159.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.8 t -86.27 -18.46 31.98 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-N 113.1 -1.863 . . . . 0.0 115.13 -140.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -37.67 -21.77 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 121.097 3.74 . . . . 0.0 121.097 140.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . 0.265 6.7 t30 -1.04 117.24 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 131.269 3.828 . . . . 0.0 118.904 -165.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -90.39 -137.89 0.14 Allowed 'General case' 0 CA--C 1.576 1.956 0 C-N-CA 124.176 0.99 . . . . 0.0 112.853 -161.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.31 -66.19 0.93 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 119.565 1.075 . . . . 0.0 112.451 169.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.12 -34.61 14.98 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -178.122 70.511 -146.582 -64.88 106.864 1.99 106.607 124.323 -48.081 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 42.5 mt-10 -49.58 -46.37 48.92 Favored 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 120.185 1.357 . . . . 0.0 113.212 157.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.487 ' HA ' ' SG ' ' A' ' 96' ' ' CYS . . . -57.59 -54.1 50.64 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 168.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 58' ' ' LEU . 2.3 t80 -55.67 -55.65 29.66 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 120.914 1.688 . . . . 0.0 115.193 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.6 mm -69.55 -36.83 72.94 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 CA-C-O 117.465 -1.255 . . . . 0.0 112.109 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 93' ' ' ALA . 18.2 p -65.22 -28.34 69.3 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 163.333 71.323 -178.774 -97.586 108.712 1.99 105.14 101.482 -146.595 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -72.78 -23.82 60.85 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 168.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.0 m -75.31 -55.98 5.16 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 119.356 0.98 . . . . 0.0 113.416 162.518 -53.698 -55.481 -62.875 107.321 1.979 106.022 -87.1 -167.551 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -12.88 5.02 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 169.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 104' ' ' ILE 0.294 16.2 ptt180 -71.05 -58.78 3.23 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 119.923 1.238 . . . . 0.0 110.995 162.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -60.07 -45.52 92.64 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 116.884 -1.531 . . . . 0.0 113.221 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.632 ' HB1' ' HE1' ' A' ' 5' ' ' PHE . . . -20.79 -69.41 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 145.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.97 -58.7 4.44 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 100' ' ' ARG . 3.9 mt -42.22 -50.95 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 166.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.512 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 18.7 t -81.77 -21.49 37.78 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -166.941 -168.022 -63.196 -58.975 108.588 1.998 108.291 -77.197 -65.152 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 41' ' ' LEU 0.587 0.1 OUTLIER -62.0 -19.78 63.19 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 117.956 2.576 . . . . 0.0 117.956 154.259 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.8 t -88.04 -30.42 19.95 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 158.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -69.64 -46.81 65.33 Favored 'General case' 0 CA--C 1.579 2.064 0 CA-C-N 121.368 1.895 . . . . 0.0 113.675 174.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.37 140.97 60.93 Favored Pre-proline 0 CA--C 1.585 2.32 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -171.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -33.9 115.72 0.09 OUTLIER 'Trans proline' 0 N--CA 1.501 1.923 1 C-N-CA 125.361 4.041 . . . . 0.0 117.18 140.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -85.54 153.82 22.17 Favored 'General case' 0 CA--C 1.57 1.738 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -165.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.76 101.49 14.07 Favored 'General case' 0 N--CA 1.502 2.175 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 169.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -84.48 5.94 25.49 Favored 'General case' 0 CA--C 1.6 2.896 0 N-CA-C 117.983 2.586 . . . . 0.0 117.983 160.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.426 ' HG3' ' H ' ' A' ' 115' ' ' HIS . 1.4 pt-20 -153.07 -64.79 0.15 Allowed 'General case' 0 N--CA 1.509 2.479 0 O-C-N 116.796 -3.69 . . . . 0.0 103.951 -127.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.512 ' HB3' HD13 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -70.8 12.08 0.31 Allowed 'General case' 0 CA--C 1.555 1.165 0 CA-C-N 113.089 -1.868 . . . . 0.0 114.523 156.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.509 ' HA ' ' HB3' ' A' ' 25' ' ' TYR 0.404 82.2 tttt -69.48 -18.55 63.71 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -162.039 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -144.49 97.98 3.13 Favored 'General case' 0 CA--C 1.561 1.37 0 N-CA-C 103.333 -2.839 . . . . 0.0 103.333 144.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.945 HD12 ' HB2' ' A' ' 119' ' ' ASP 0.325 0.8 OUTLIER -81.2 167.7 19.33 Favored 'General case' 0 CA--C 1.568 1.638 1 CA-C-O 128.621 4.058 . . . . 0.0 116.199 -146.897 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.945 ' HB2' HD12 ' A' ' 118' ' ' LEU 0.454 19.3 m-20 -75.27 -39.29 59.9 Favored 'General case' 0 CA--C 1.559 1.309 2 CA-C-N 103.35 -6.296 . . . . 0.0 115.73 -176.959 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.559 HG21 ' HB2' ' A' ' 27' ' ' CYS 0.441 9.4 t -49.69 76.8 0.0 OUTLIER 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 119.739 3.237 . . . . 0.0 119.739 -133.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.504 ' CE ' ' HD2' ' A' ' 122' ' ' LYS 0.312 0.1 OUTLIER -90.61 26.53 1.99 Allowed 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 123.214 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.606 ' CE ' ' HB3' ' A' ' 119' ' ' ASP . 0.8 OUTLIER -135.7 -72.44 0.46 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.204 1.802 . . . . 0.0 106.779 -152.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.523 ' HD2' ' CD1' ' A' ' 118' ' ' LEU 0.519 23.5 m-85 -93.23 6.1 49.23 Favored 'General case' 0 CA--C 1.56 1.354 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -152.166 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 123.909 1.814 . . . . 0.0 110.87 -150.475 -152.689 116.606 54.729 105.047 2.006 101.368 142.9 72.505 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_