data_1oo3_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 1oo3 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 114.343 0.497 . . . . 0.0 114.343 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.2 mtp -78.99 87.91 4.79 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 122.107 0.956 . . . . 0.0 112.118 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -101.48 99.62 9.97 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-O 121.697 0.761 . . . . 0.0 111.108 -173.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.02 92.92 5.03 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.481 -0.762 . . . . 0.0 112.91 -177.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -86.43 94.79 9.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.548 -0.72 . . . . 0.0 112.224 -169.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -82.3 89.44 6.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.47 -0.769 . . . . 0.0 109.332 169.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.5 t -82.81 46.95 1.14 Allowed 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 117.177 2.288 . . . . 0.0 117.177 -167.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.88 167.25 21.84 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.718 1.246 . . . . 0.0 111.974 165.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.251 11.7 tt0 56.57 52.25 10.05 Favored 'General case' 0 CA--C 1.579 2.06 0 CA-C-O 122.238 1.018 . . . . 0.0 113.616 -146.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -93.53 -50.82 5.24 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.887 0.875 . . . . 0.0 110.943 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.99 139.64 58.79 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.8 -47.12 41.02 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -165.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -59.53 -2.71 0.36 Allowed 'General case' 0 CA--C 1.577 1.998 0 N-CA-C 119.826 3.269 . . . . 0.0 119.826 169.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -78.48 80.63 4.86 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 -153.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -79.95 -28.91 39.6 Favored 'General case' 0 CA--C 1.576 1.945 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 162.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.2 -7.16 64.71 Favored Glycine 0 CA--C 1.559 2.807 0 N-CA-C 118.067 1.987 . . . . 0.0 118.067 -143.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -160.69 89.87 0.83 Allowed 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 119.305 1.552 . . . . 0.0 110.218 -172.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.63 99.52 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.561 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 p -140.41 140.91 35.56 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.954 -1.092 . . . . 0.0 111.398 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.294 64.2 ttt180 71.04 -51.88 0.68 Allowed 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -171.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.37 21.94 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 120.158 3.392 . . . . 0.0 120.158 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.96 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.028 1.731 . . . . 0.0 107.435 -163.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.0 t -55.81 -50.93 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.951 0 C-N-CA 125.177 1.391 . . . . 0.0 112.43 172.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -91.4 -46.42 8.02 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 124.03 0.932 . . . . 0.0 113.409 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.9 -42.78 66.36 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 116.315 1.968 . . . . 0.0 116.315 -174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -81.26 -28.99 34.51 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 173.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tt -36.97 -39.66 0.24 Allowed 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 117.324 2.342 . . . . 0.0 117.324 147.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.0 ttp85 -90.97 -44.42 9.35 Favored 'General case' 0 CA--C 1.566 1.591 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -81.9 -40.47 22.31 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 t -98.51 -3.74 35.87 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 169.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.378 . . 72.57 -106.35 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 125.097 1.359 . . . . 0.0 113.895 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -123.03 145.68 48.31 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 119.79 1.177 . . . . 0.0 112.763 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.62 67.8 0.93 Allowed Glycine 0 N--CA 1.478 1.454 0 CA-C-O 118.9 -0.944 . . . . 0.0 113.659 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.5 t -152.15 113.29 4.25 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 117.966 0.883 . . . . 0.0 111.912 -170.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -85.85 130.05 34.66 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.491 -0.756 . . . . 0.0 111.103 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 pp -164.68 112.98 1.08 Allowed 'General case' 0 CA--C 1.578 2.037 0 CA-C-O 121.818 0.818 . . . . 0.0 110.987 -172.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.73 116.36 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 120.315 -1.49 . . . . 0.0 109.353 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.47 111.56 23.87 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -157.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -77.64 81.74 4.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 119.75 -1.844 . . . . 0.0 113.764 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.4 159.32 20.85 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.469 162.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.2 m -71.36 159.03 35.29 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 174.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 m -62.58 -52.74 62.22 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -175.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -88.07 69.54 9.31 Favored 'General case' 0 CA--C 1.571 1.78 0 CA-C-N 120.16 1.345 . . . . 0.0 111.332 165.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -151.42 -78.94 0.12 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.723 0.809 . . . . 0.0 109.122 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -152.03 -130.05 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.844 0 CA-C-N 119.004 0.82 . . . . 0.0 109.043 171.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -76.15 94.14 1.0 Allowed Glycine 0 N--CA 1.487 2.046 0 O-C-N 120.475 -1.39 . . . . 0.0 115.314 -174.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.99 95.73 3.06 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 122.713 1.244 . . . . 0.0 112.686 -167.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . 0.351 6.1 t80 55.81 47.85 19.4 Favored 'General case' 0 CA--C 1.575 1.926 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 -164.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.02 157.67 16.66 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.886 0.874 . . . . 0.0 112.817 175.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 122.69 20.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.699 -1.251 . . . . 0.0 110.969 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 p -127.33 137.92 52.92 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.044 0.926 . . . . 0.0 109.603 173.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.12 150.77 33.25 Favored 'General case' 0 CA--C 1.56 1.336 0 O-C-N 121.647 -0.658 . . . . 0.0 110.65 167.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -86.8 136.39 33.0 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.088 -1.008 . . . . 0.0 109.671 165.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.63 93.25 2.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.684 -0.635 . . . . 0.0 109.957 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.22 49.72 64.56 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 116.421 1.329 . . . . 0.0 116.421 -166.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 -71.86 0.96 Allowed Glycine 0 N--CA 1.484 1.898 0 CA-C-N 117.596 0.698 . . . . 0.0 114.778 -174.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.0 173.0 12.6 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-O 123.352 1.549 . . . . 0.0 113.276 -171.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -99.63 108.9 21.39 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.539 -168.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -92.32 80.66 4.95 Favored 'General case' 0 CA--C 1.563 1.449 0 CA-C-O 121.89 0.852 . . . . 0.0 110.674 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.7 t -91.37 104.49 17.01 Favored 'General case' 0 CA--C 1.561 1.387 0 O-C-N 121.649 -0.657 . . . . 0.0 110.982 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.292 0.1 OUTLIER -87.54 -42.94 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -170.3 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -75.43 149.74 38.47 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-N 120.113 1.324 . . . . 0.0 111.47 158.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.4 mt -125.81 121.35 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . 0.272 4.7 t80 70.47 -179.53 0.23 Allowed 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 115.041 1.496 . . . . 0.0 115.041 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -70.66 -52.84 18.51 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.699 -1.25 . . . . 0.0 114.054 173.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 25.22 55.88 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 118.69 2.848 . . . . 0.0 118.69 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 69.51 -41.71 0.49 Allowed 'General case' 0 N--CA 1.507 2.389 0 N-CA-C 117.241 2.311 . . . . 0.0 117.241 -170.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.13 83.69 1.65 Allowed Glycine 0 N--CA 1.485 1.928 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -162.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 118.48 28.76 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -167.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -90.43 135.19 33.84 Favored 'General case' 0 CA--C 1.562 1.418 0 O-C-N 120.393 -1.442 . . . . 0.0 114.128 -171.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.27 -95.59 0.37 Allowed Glycine 0 N--CA 1.485 1.939 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.431 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -155.26 160.68 41.0 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 123.692 0.797 . . . . 0.0 110.566 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.6 p -74.08 81.14 1.74 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -130.84 -116.32 0.23 Allowed 'General case' 0 CA--C 1.568 1.669 0 CA-C-O 118.565 -0.731 . . . . 0.0 109.029 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.8 t -113.22 15.85 19.26 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 -173.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -76.9 -38.16 54.06 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . 0.41 45.7 p 79.65 -51.98 0.4 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 -175.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -153.2 155.44 36.66 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 115.94 1.829 . . . . 0.0 115.94 -169.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -154.01 -67.8 0.14 Allowed 'General case' 0 CA--C 1.573 1.832 0 C-N-CA 123.792 0.837 . . . . 0.0 112.593 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -163.71 168.23 20.03 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 119.93 1.241 . . . . 0.0 114.204 -155.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.0 m -122.69 40.05 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 O-C-N 121.155 -0.966 . . . . 0.0 112.249 158.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.35 -44.61 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 C-N-CA 125.705 1.602 . . . . 0.0 111.544 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -53.56 -49.77 66.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -55.85 -38.65 70.35 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 165.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.6 mm -75.4 -50.68 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.813 0 C-N-CA 123.77 0.828 . . . . 0.0 111.884 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.55 97.62 0.32 Allowed 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 124.104 0.962 . . . . 0.0 110.177 -173.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -155.3 95.36 1.7 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.733 -1.23 . . . . 0.0 107.994 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . 0.264 52.8 t80 67.8 -53.71 0.5 Allowed 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.12 -49.25 3.8 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 125.823 1.649 . . . . 0.0 111.505 -172.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -71.21 -7.62 48.0 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 -172.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -142.81 65.23 1.35 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 120.459 1.481 . . . . 0.0 110.538 161.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -153.7 163.06 40.64 Favored 'General case' 0 CA--C 1.566 1.568 0 O-C-N 121.144 -0.972 . . . . 0.0 112.626 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.53 -35.7 53.91 Favored 'General case' 0 N--CA 1.503 2.189 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 154.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.07 4.04 0.14 Allowed 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 119.92 3.304 . . . . 0.0 119.92 166.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.41 -54.36 46.51 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 120.662 1.574 . . . . 0.0 114.784 166.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -98.59 -60.89 1.45 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.126 0.97 . . . . 0.0 111.603 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -158.67 118.17 1.78 Allowed Pre-proline 0 CA--C 1.561 1.378 0 CA-C-O 116.949 -1.5 . . . . 0.0 109.706 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.26 -25.59 30.77 Favored 'Trans proline' 0 CA--C 1.563 1.929 0 N-CA-C 118.899 2.615 . . . . 0.0 118.899 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -87.16 -40.34 14.69 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 171.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.4 tt -82.16 -62.76 1.54 Allowed 'General case' 0 CA--C 1.566 1.58 0 CA-C-N 119.109 0.868 . . . . 0.0 112.314 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.362 1.4 p30 50.95 178.53 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 118.342 2.719 . . . . 0.0 118.342 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . 0.281 21.3 t -135.47 -96.34 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 120.175 -1.578 . . . . 0.0 107.426 169.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -137.78 118.68 14.24 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 119.658 1.117 . . . . 0.0 108.565 -172.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . 0.276 0.0 OUTLIER -161.2 35.92 0.14 Allowed 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -173.501 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -103.13 -1.92 28.25 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 118.235 2.68 . . . . 0.0 118.235 -165.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -123.52 67.94 39.38 Favored Pre-proline 0 CA--C 1.581 2.147 0 CA-C-N 120.456 1.48 . . . . 0.0 111.682 -171.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.39 127.94 16.51 Favored 'Trans proline' 0 CA--C 1.558 1.692 0 CA-C-N 123.947 2.445 . . . . 0.0 113.468 175.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.76 95.37 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.922 -0.487 . . . . 0.0 111.722 -161.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.3 p -72.45 110.11 6.62 Favored 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -162.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.338 29.0 mmtp 51.06 39.17 22.6 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 116.933 2.198 . . . . 0.0 116.933 -169.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.737 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 114.343 0.497 . . . . 0.0 114.343 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.2 mtp -78.99 87.91 4.79 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 122.107 0.956 . . . . 0.0 112.118 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -101.48 99.62 9.97 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-O 121.697 0.761 . . . . 0.0 111.108 -173.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.02 92.92 5.03 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.481 -0.762 . . . . 0.0 112.91 -177.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -86.43 94.79 9.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.548 -0.72 . . . . 0.0 112.224 -169.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -82.3 89.44 6.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.47 -0.769 . . . . 0.0 109.332 169.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.5 t -82.81 46.95 1.14 Allowed 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 117.177 2.288 . . . . 0.0 117.177 -167.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.88 167.25 21.84 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.718 1.246 . . . . 0.0 111.974 165.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.251 11.7 tt0 56.57 52.25 10.05 Favored 'General case' 0 CA--C 1.579 2.06 0 CA-C-O 122.238 1.018 . . . . 0.0 113.616 -146.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -93.53 -50.82 5.24 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.887 0.875 . . . . 0.0 110.943 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.99 139.64 58.79 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.8 -47.12 41.02 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -165.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -59.53 -2.71 0.36 Allowed 'General case' 0 CA--C 1.577 1.998 0 N-CA-C 119.826 3.269 . . . . 0.0 119.826 169.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -78.48 80.63 4.86 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 -153.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -79.95 -28.91 39.6 Favored 'General case' 0 CA--C 1.576 1.945 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 162.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.2 -7.16 64.71 Favored Glycine 0 CA--C 1.559 2.807 0 N-CA-C 118.067 1.987 . . . . 0.0 118.067 -143.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -160.69 89.87 0.83 Allowed 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 119.305 1.552 . . . . 0.0 110.218 -172.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.63 99.52 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.561 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 p -140.41 140.91 35.56 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.954 -1.092 . . . . 0.0 111.398 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.294 64.2 ttt180 71.04 -51.88 0.68 Allowed 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -171.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.37 21.94 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 120.158 3.392 . . . . 0.0 120.158 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.96 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.028 1.731 . . . . 0.0 107.435 -163.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.0 t -55.81 -50.93 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.951 0 C-N-CA 125.177 1.391 . . . . 0.0 112.43 172.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -91.4 -46.42 8.02 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 124.03 0.932 . . . . 0.0 113.409 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.9 -42.78 66.36 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 116.315 1.968 . . . . 0.0 116.315 -174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -81.26 -28.99 34.51 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 173.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tt -36.97 -39.66 0.24 Allowed 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 117.324 2.342 . . . . 0.0 117.324 147.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.0 ttp85 -90.97 -44.42 9.35 Favored 'General case' 0 CA--C 1.566 1.591 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -81.9 -40.47 22.31 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 t -98.51 -3.74 35.87 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 169.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.378 . . 72.57 -106.35 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 125.097 1.359 . . . . 0.0 113.895 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -123.03 145.68 48.31 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 119.79 1.177 . . . . 0.0 112.763 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.62 67.8 0.93 Allowed Glycine 0 N--CA 1.478 1.454 0 CA-C-O 118.9 -0.944 . . . . 0.0 113.659 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.5 t -152.15 113.29 4.25 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 117.966 0.883 . . . . 0.0 111.912 -170.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -85.85 130.05 34.66 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.491 -0.756 . . . . 0.0 111.103 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 pp -164.68 112.98 1.08 Allowed 'General case' 0 CA--C 1.578 2.037 0 CA-C-O 121.818 0.818 . . . . 0.0 110.987 -172.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.73 116.36 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 120.315 -1.49 . . . . 0.0 109.353 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.47 111.56 23.87 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -157.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -77.64 81.74 4.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 119.75 -1.844 . . . . 0.0 113.764 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.4 159.32 20.85 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.469 162.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.2 m -71.36 159.03 35.29 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 174.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 m -62.58 -52.74 62.22 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -175.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -88.07 69.54 9.31 Favored 'General case' 0 CA--C 1.571 1.78 0 CA-C-N 120.16 1.345 . . . . 0.0 111.332 165.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -151.42 -78.94 0.12 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.723 0.809 . . . . 0.0 109.122 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -152.03 -130.05 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.844 0 CA-C-N 119.004 0.82 . . . . 0.0 109.043 171.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -76.15 94.14 1.0 Allowed Glycine 0 N--CA 1.487 2.046 0 O-C-N 120.475 -1.39 . . . . 0.0 115.314 -174.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.99 95.73 3.06 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 122.713 1.244 . . . . 0.0 112.686 -167.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . 0.351 6.1 t80 55.81 47.85 19.4 Favored 'General case' 0 CA--C 1.575 1.926 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 -164.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.02 157.67 16.66 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.886 0.874 . . . . 0.0 112.817 175.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 122.69 20.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.699 -1.251 . . . . 0.0 110.969 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 p -127.33 137.92 52.92 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.044 0.926 . . . . 0.0 109.603 173.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.12 150.77 33.25 Favored 'General case' 0 CA--C 1.56 1.336 0 O-C-N 121.647 -0.658 . . . . 0.0 110.65 167.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -86.8 136.39 33.0 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.088 -1.008 . . . . 0.0 109.671 165.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.63 93.25 2.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.684 -0.635 . . . . 0.0 109.957 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.22 49.72 64.56 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 116.421 1.329 . . . . 0.0 116.421 -166.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 -71.86 0.96 Allowed Glycine 0 N--CA 1.484 1.898 0 CA-C-N 117.596 0.698 . . . . 0.0 114.778 -174.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.0 173.0 12.6 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-O 123.352 1.549 . . . . 0.0 113.276 -171.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -99.63 108.9 21.39 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.539 -168.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -92.32 80.66 4.95 Favored 'General case' 0 CA--C 1.563 1.449 0 CA-C-O 121.89 0.852 . . . . 0.0 110.674 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.7 t -91.37 104.49 17.01 Favored 'General case' 0 CA--C 1.561 1.387 0 O-C-N 121.649 -0.657 . . . . 0.0 110.982 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.292 0.1 OUTLIER -87.54 -42.94 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -170.3 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -75.43 149.74 38.47 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-N 120.113 1.324 . . . . 0.0 111.47 158.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.4 mt -125.81 121.35 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . 0.272 4.7 t80 70.47 -179.53 0.23 Allowed 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 115.041 1.496 . . . . 0.0 115.041 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -70.66 -52.84 18.51 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.699 -1.25 . . . . 0.0 114.054 173.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 25.22 55.88 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 118.69 2.848 . . . . 0.0 118.69 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 69.51 -41.71 0.49 Allowed 'General case' 0 N--CA 1.507 2.389 0 N-CA-C 117.241 2.311 . . . . 0.0 117.241 -170.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.13 83.69 1.65 Allowed Glycine 0 N--CA 1.485 1.928 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -162.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' O ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -122.15 118.48 28.76 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -167.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -90.43 135.19 33.84 Favored 'General case' 0 CA--C 1.562 1.418 0 O-C-N 120.393 -1.442 . . . . 0.0 114.128 -171.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.27 -95.59 0.37 Allowed Glycine 0 N--CA 1.485 1.939 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.431 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -155.26 160.68 41.0 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 123.692 0.797 . . . . 0.0 110.566 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.6 p -74.08 81.14 1.74 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -130.84 -116.32 0.23 Allowed 'General case' 0 CA--C 1.568 1.669 0 CA-C-O 118.565 -0.731 . . . . 0.0 109.029 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.8 t -113.22 15.85 19.26 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 -173.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -76.9 -38.16 54.06 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . 0.41 45.7 p 79.65 -51.98 0.4 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 -175.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -153.2 155.44 36.66 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 115.94 1.829 . . . . 0.0 115.94 -169.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -154.01 -67.8 0.14 Allowed 'General case' 0 CA--C 1.573 1.832 0 C-N-CA 123.792 0.837 . . . . 0.0 112.593 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -163.71 168.23 20.03 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 119.93 1.241 . . . . 0.0 114.204 -155.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.0 m -122.69 40.05 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 O-C-N 121.155 -0.966 . . . . 0.0 112.249 158.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.35 -44.61 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 C-N-CA 125.705 1.602 . . . . 0.0 111.544 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -53.56 -49.77 66.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.409 HD11 ' O ' ' A' ' 69' ' ' LYS . 3.4 mm? -55.85 -38.65 70.35 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 165.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.6 mm -75.4 -50.68 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.813 0 C-N-CA 123.77 0.828 . . . . 0.0 111.884 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.55 97.62 0.32 Allowed 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 124.104 0.962 . . . . 0.0 110.177 -173.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -155.3 95.36 1.7 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.733 -1.23 . . . . 0.0 107.994 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . 0.264 52.8 t80 67.8 -53.71 0.5 Allowed 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.12 -49.25 3.8 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 125.823 1.649 . . . . 0.0 111.505 -172.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -71.21 -7.62 48.0 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 -172.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -142.81 65.23 1.35 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 120.459 1.481 . . . . 0.0 110.538 161.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -153.7 163.06 40.64 Favored 'General case' 0 CA--C 1.566 1.568 0 O-C-N 121.144 -0.972 . . . . 0.0 112.626 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.53 -35.7 53.91 Favored 'General case' 0 N--CA 1.503 2.189 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 154.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.07 4.04 0.14 Allowed 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 119.92 3.304 . . . . 0.0 119.92 166.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.41 -54.36 46.51 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 120.662 1.574 . . . . 0.0 114.784 166.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -98.59 -60.89 1.45 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.126 0.97 . . . . 0.0 111.603 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -158.67 118.17 1.78 Allowed Pre-proline 0 CA--C 1.561 1.378 0 CA-C-O 116.949 -1.5 . . . . 0.0 109.706 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.26 -25.59 30.77 Favored 'Trans proline' 0 CA--C 1.563 1.929 0 N-CA-C 118.899 2.615 . . . . 0.0 118.899 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -87.16 -40.34 14.69 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 171.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.4 tt -82.16 -62.76 1.54 Allowed 'General case' 0 CA--C 1.566 1.58 0 CA-C-N 119.109 0.868 . . . . 0.0 112.314 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.362 1.4 p30 50.95 178.53 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 118.342 2.719 . . . . 0.0 118.342 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . 0.281 21.3 t -135.47 -96.34 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 120.175 -1.578 . . . . 0.0 107.426 169.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -137.78 118.68 14.24 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 119.658 1.117 . . . . 0.0 108.565 -172.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . 0.276 0.0 OUTLIER -161.2 35.92 0.14 Allowed 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -173.501 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 105' ' ' LEU . 2.4 pt? -103.13 -1.92 28.25 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 118.235 2.68 . . . . 0.0 118.235 -165.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -123.52 67.94 39.38 Favored Pre-proline 0 CA--C 1.581 2.147 0 CA-C-N 120.456 1.48 . . . . 0.0 111.682 -171.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.39 127.94 16.51 Favored 'Trans proline' 0 CA--C 1.558 1.692 0 CA-C-N 123.947 2.445 . . . . 0.0 113.468 175.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.76 95.37 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.922 -0.487 . . . . 0.0 111.722 -161.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.3 p -72.45 110.11 6.62 Favored 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -162.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.338 29.0 mmtp 51.06 39.17 22.6 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 116.933 2.198 . . . . 0.0 116.933 -169.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.737 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 114.343 0.497 . . . . 0.0 114.343 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.2 mtp -78.99 87.91 4.79 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 122.107 0.956 . . . . 0.0 112.118 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -101.48 99.62 9.97 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-O 121.697 0.761 . . . . 0.0 111.108 -173.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.02 92.92 5.03 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.481 -0.762 . . . . 0.0 112.91 -177.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -86.43 94.79 9.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.548 -0.72 . . . . 0.0 112.224 -169.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -82.3 89.44 6.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.47 -0.769 . . . . 0.0 109.332 169.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.5 t -82.81 46.95 1.14 Allowed 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 117.177 2.288 . . . . 0.0 117.177 -167.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.88 167.25 21.84 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.718 1.246 . . . . 0.0 111.974 165.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.251 11.7 tt0 56.57 52.25 10.05 Favored 'General case' 0 CA--C 1.579 2.06 0 CA-C-O 122.238 1.018 . . . . 0.0 113.616 -146.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -93.53 -50.82 5.24 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.887 0.875 . . . . 0.0 110.943 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.99 139.64 58.79 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.8 -47.12 41.02 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -165.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -59.53 -2.71 0.36 Allowed 'General case' 0 CA--C 1.577 1.998 0 N-CA-C 119.826 3.269 . . . . 0.0 119.826 169.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -78.48 80.63 4.86 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 -153.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -79.95 -28.91 39.6 Favored 'General case' 0 CA--C 1.576 1.945 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 162.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.2 -7.16 64.71 Favored Glycine 0 CA--C 1.559 2.807 0 N-CA-C 118.067 1.987 . . . . 0.0 118.067 -143.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -160.69 89.87 0.83 Allowed 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 119.305 1.552 . . . . 0.0 110.218 -172.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.63 99.52 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.561 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 p -140.41 140.91 35.56 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.954 -1.092 . . . . 0.0 111.398 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.294 64.2 ttt180 71.04 -51.88 0.68 Allowed 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -171.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.37 21.94 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 120.158 3.392 . . . . 0.0 120.158 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.96 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.028 1.731 . . . . 0.0 107.435 -163.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.0 t -55.81 -50.93 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.951 0 C-N-CA 125.177 1.391 . . . . 0.0 112.43 172.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -91.4 -46.42 8.02 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 124.03 0.932 . . . . 0.0 113.409 170.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.9 -42.78 66.36 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 116.315 1.968 . . . . 0.0 116.315 -174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -81.26 -28.99 34.51 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 173.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tt -36.97 -39.66 0.24 Allowed 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 117.324 2.342 . . . . 0.0 117.324 147.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.0 ttp85 -90.97 -44.42 9.35 Favored 'General case' 0 CA--C 1.566 1.591 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -81.9 -40.47 22.31 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 t -98.51 -3.74 35.87 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 169.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.378 . . 72.57 -106.35 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 125.097 1.359 . . . . 0.0 113.895 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -123.03 145.68 48.31 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 119.79 1.177 . . . . 0.0 112.763 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.62 67.8 0.93 Allowed Glycine 0 N--CA 1.478 1.454 0 CA-C-O 118.9 -0.944 . . . . 0.0 113.659 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.5 t -152.15 113.29 4.25 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 117.966 0.883 . . . . 0.0 111.912 -170.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -85.85 130.05 34.66 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.491 -0.756 . . . . 0.0 111.103 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 pp -164.68 112.98 1.08 Allowed 'General case' 0 CA--C 1.578 2.037 0 CA-C-O 121.818 0.818 . . . . 0.0 110.987 -172.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.73 116.36 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 120.315 -1.49 . . . . 0.0 109.353 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.47 111.56 23.87 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -157.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -77.64 81.74 4.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 119.75 -1.844 . . . . 0.0 113.764 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.4 159.32 20.85 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.469 162.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.2 m -71.36 159.03 35.29 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 174.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 m -62.58 -52.74 62.22 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -175.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -88.07 69.54 9.31 Favored 'General case' 0 CA--C 1.571 1.78 0 CA-C-N 120.16 1.345 . . . . 0.0 111.332 165.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -151.42 -78.94 0.12 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.723 0.809 . . . . 0.0 109.122 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -152.03 -130.05 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.844 0 CA-C-N 119.004 0.82 . . . . 0.0 109.043 171.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -76.15 94.14 1.0 Allowed Glycine 0 N--CA 1.487 2.046 0 O-C-N 120.475 -1.39 . . . . 0.0 115.314 -174.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.99 95.73 3.06 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 122.713 1.244 . . . . 0.0 112.686 -167.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . 0.351 6.1 t80 55.81 47.85 19.4 Favored 'General case' 0 CA--C 1.575 1.926 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 -164.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.02 157.67 16.66 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.886 0.874 . . . . 0.0 112.817 175.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 122.69 20.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.699 -1.251 . . . . 0.0 110.969 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 p -127.33 137.92 52.92 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.044 0.926 . . . . 0.0 109.603 173.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.12 150.77 33.25 Favored 'General case' 0 CA--C 1.56 1.336 0 O-C-N 121.647 -0.658 . . . . 0.0 110.65 167.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -86.8 136.39 33.0 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.088 -1.008 . . . . 0.0 109.671 165.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.63 93.25 2.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.684 -0.635 . . . . 0.0 109.957 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.22 49.72 64.56 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 116.421 1.329 . . . . 0.0 116.421 -166.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.44 -71.86 0.96 Allowed Glycine 0 N--CA 1.484 1.898 0 CA-C-N 117.596 0.698 . . . . 0.0 114.778 -174.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.0 173.0 12.6 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-O 123.352 1.549 . . . . 0.0 113.276 -171.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -99.63 108.9 21.39 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.539 -168.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -92.32 80.66 4.95 Favored 'General case' 0 CA--C 1.563 1.449 0 CA-C-O 121.89 0.852 . . . . 0.0 110.674 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.7 t -91.37 104.49 17.01 Favored 'General case' 0 CA--C 1.561 1.387 0 O-C-N 121.649 -0.657 . . . . 0.0 110.982 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.292 0.1 OUTLIER -87.54 -42.94 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -170.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -75.43 149.74 38.47 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-N 120.113 1.324 . . . . 0.0 111.47 158.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.4 mt -125.81 121.35 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . 0.272 4.7 t80 70.47 -179.53 0.23 Allowed 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 115.041 1.496 . . . . 0.0 115.041 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -70.66 -52.84 18.51 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.699 -1.25 . . . . 0.0 114.054 173.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 25.22 55.88 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 118.69 2.848 . . . . 0.0 118.69 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 69.51 -41.71 0.49 Allowed 'General case' 0 N--CA 1.507 2.389 0 N-CA-C 117.241 2.311 . . . . 0.0 117.241 -170.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.13 83.69 1.65 Allowed Glycine 0 N--CA 1.485 1.928 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -162.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' O ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -122.15 118.48 28.76 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -167.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -90.43 135.19 33.84 Favored 'General case' 0 CA--C 1.562 1.418 0 O-C-N 120.393 -1.442 . . . . 0.0 114.128 -171.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.27 -95.59 0.37 Allowed Glycine 0 N--CA 1.485 1.939 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.431 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -155.26 160.68 41.0 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 123.692 0.797 . . . . 0.0 110.566 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.6 p -74.08 81.14 1.74 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -130.84 -116.32 0.23 Allowed 'General case' 0 CA--C 1.568 1.669 0 CA-C-O 118.565 -0.731 . . . . 0.0 109.029 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.8 t -113.22 15.85 19.26 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 -173.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -76.9 -38.16 54.06 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . 0.41 45.7 p 79.65 -51.98 0.4 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 -175.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -153.2 155.44 36.66 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 115.94 1.829 . . . . 0.0 115.94 -169.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -154.01 -67.8 0.14 Allowed 'General case' 0 CA--C 1.573 1.832 0 C-N-CA 123.792 0.837 . . . . 0.0 112.593 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -163.71 168.23 20.03 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 119.93 1.241 . . . . 0.0 114.204 -155.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.0 m -122.69 40.05 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 O-C-N 121.155 -0.966 . . . . 0.0 112.249 158.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.35 -44.61 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 C-N-CA 125.705 1.602 . . . . 0.0 111.544 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -53.56 -49.77 66.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.409 HD11 ' O ' ' A' ' 69' ' ' LYS . 3.4 mm? -55.85 -38.65 70.35 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 165.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.6 mm -75.4 -50.68 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.813 0 C-N-CA 123.77 0.828 . . . . 0.0 111.884 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -169.55 97.62 0.32 Allowed 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 124.104 0.962 . . . . 0.0 110.177 -173.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -155.3 95.36 1.7 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.733 -1.23 . . . . 0.0 107.994 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . 0.264 52.8 t80 67.8 -53.71 0.5 Allowed 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.12 -49.25 3.8 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 125.823 1.649 . . . . 0.0 111.505 -172.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -71.21 -7.62 48.0 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 -172.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -142.81 65.23 1.35 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 120.459 1.481 . . . . 0.0 110.538 161.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -153.7 163.06 40.64 Favored 'General case' 0 CA--C 1.566 1.568 0 O-C-N 121.144 -0.972 . . . . 0.0 112.626 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.53 -35.7 53.91 Favored 'General case' 0 N--CA 1.503 2.189 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 154.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.07 4.04 0.14 Allowed 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 119.92 3.304 . . . . 0.0 119.92 166.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.41 -54.36 46.51 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 120.662 1.574 . . . . 0.0 114.784 166.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -98.59 -60.89 1.45 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.126 0.97 . . . . 0.0 111.603 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -158.67 118.17 1.78 Allowed Pre-proline 0 CA--C 1.561 1.378 0 CA-C-O 116.949 -1.5 . . . . 0.0 109.706 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.26 -25.59 30.77 Favored 'Trans proline' 0 CA--C 1.563 1.929 0 N-CA-C 118.899 2.615 . . . . 0.0 118.899 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -87.16 -40.34 14.69 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 171.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.4 tt -82.16 -62.76 1.54 Allowed 'General case' 0 CA--C 1.566 1.58 0 CA-C-N 119.109 0.868 . . . . 0.0 112.314 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.362 1.4 p30 50.95 178.53 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 118.342 2.719 . . . . 0.0 118.342 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . 0.281 21.3 t -135.47 -96.34 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 120.175 -1.578 . . . . 0.0 107.426 169.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -137.78 118.68 14.24 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 119.658 1.117 . . . . 0.0 108.565 -172.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . 0.276 0.0 OUTLIER -161.2 35.92 0.14 Allowed 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -173.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 105' ' ' LEU . 2.4 pt? -103.13 -1.92 28.25 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 118.235 2.68 . . . . 0.0 118.235 -165.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -123.52 67.94 39.38 Favored Pre-proline 0 CA--C 1.581 2.147 0 CA-C-N 120.456 1.48 . . . . 0.0 111.682 -171.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -68.39 127.94 16.51 Favored 'Trans proline' 0 CA--C 1.558 1.692 0 CA-C-N 123.947 2.445 . . . . 0.0 113.468 175.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.2 t -78.76 95.37 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.922 -0.487 . . . . 0.0 111.722 -161.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.3 p -72.45 110.11 6.62 Favored 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -162.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.338 29.0 mmtp 51.06 39.17 22.6 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 116.933 2.198 . . . . 0.0 116.933 -169.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.737 . . . . . . . . 0 0 . 1 stop_ save_