data_1neh_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 1neh _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' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.467 0.405 0 CA-C-O 117.803 -1.094 . . . . 0.0 108.324 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.05 147.53 99.05 Favored Pre-proline 0 CA--C 1.534 0.331 0 O-C-N 123.763 0.665 . . . . 0.0 109.439 172.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.73 166.19 27.49 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.14 1.894 . . . . 0.0 110.728 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.91 80.11 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.471 0.709 . . . . 0.0 111.353 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -93.59 25.87 3.31 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.46 1.104 . . . . 0.0 111.453 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.36 137.97 56.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.321 -0.862 . . . . 0.0 109.39 168.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.0 t -66.13 115.17 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 168.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.53 146.63 42.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.847 0.859 . . . . 0.0 110.046 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.84 -25.94 31.89 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 168.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.31 -2.44 52.22 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.151 1.38 . . . . 0.0 110.971 -175.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.19 135.96 57.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.236 -0.915 . . . . 0.0 109.88 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.79 -42.66 65.24 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.495 0.718 . . . . 0.0 112.113 -176.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -72.87 -42.25 63.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.82 -37.59 68.89 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.346 -0.846 . . . . 0.0 110.907 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt -66.79 -37.83 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 126.011 1.725 . . . . 0.0 109.658 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.4 74.8 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.663 0.385 . . . . 0.0 111.221 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -90.06 -13.79 35.17 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.689 0.396 . . . . 0.0 111.235 -170.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt 59.04 43.67 17.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.87 1.268 . . . . 0.0 110.27 -170.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -64.47 140.47 58.87 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.015 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -148.85 132.19 16.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 160.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -45.48 -48.19 14.0 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 125.614 1.566 . . . . 0.0 110.249 164.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -79.85 73.92 6.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.24 -40.61 7.59 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.962 -0.461 . . . . 0.0 112.188 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -47.59 70.82 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.952 0.901 . . . . 0.0 111.219 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -99.45 49.09 0.94 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.252 1.021 . . . . 0.0 110.093 173.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -117.26 179.49 4.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.111 0.965 . . . . 0.0 109.436 165.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -74.95 29.1 0.09 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.738 0.815 . . . . 0.0 111.683 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -63.16 -67.69 0.4 Allowed 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.205 -0.934 . . . . 0.0 109.892 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -35.67 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -175.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.0 88.14 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.88 0.872 . . . . 0.0 111.589 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.17 -33.8 43.68 Favored 'General case' 0 CA--C 1.527 0.077 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 42.48 51.13 4.82 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.204 2.202 . . . . 0.0 111.994 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -63.4 135.94 96.48 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.52 166.17 30.53 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.773 2.315 . . . . 0.0 111.222 -173.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.65 -44.05 1.43 Allowed Glycine 0 CA--C 1.527 0.822 0 C-N-CA 124.331 0.967 . . . . 0.0 111.523 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.4 tp -153.57 145.56 16.94 Favored Pre-proline 0 C--O 1.232 0.175 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.43 142.91 88.74 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 CA-C-N 121.003 1.394 . . . . 0.0 110.962 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -47.17 -45.38 21.89 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.102 2.535 . . . . 0.0 112.272 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -47.62 -53.68 14.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.016 0.926 . . . . 0.0 111.65 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -67.61 -33.88 75.87 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.239 1.415 . . . . 0.0 113.093 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 75.5 mt-30 -57.38 126.14 25.95 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.652 1.114 . . . . 0.0 112.221 -178.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -154.3 173.26 16.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.296 1.438 . . . . 0.0 108.486 165.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.9 m -47.88 -40.43 21.61 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.659 1.184 . . . . 0.0 109.706 169.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.24 -35.71 0.66 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.442 1.497 . . . . 0.0 113.638 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -127.22 30.37 5.42 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.659 0.784 . . . . 0.0 111.449 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.9 t -82.96 145.53 29.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.738 1.215 . . . . 0.0 109.489 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.84 -50.98 60.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.884 0.85 . . . . 0.0 109.227 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -79.49 63.42 4.08 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.896 1.279 . . . . 0.0 110.132 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -128.87 157.51 41.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.16 1.784 . . . . 0.0 110.159 -173.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -139.36 103.26 4.69 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.07 0.948 . . . . 0.0 111.315 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.79 58.21 4.53 Favored 'General case' 0 N--CA 1.462 0.134 0 O-C-N 120.706 -1.247 . . . . 0.0 108.03 150.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -155.04 44.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.265 1.826 . . . . 0.0 107.355 -173.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.27 137.47 53.65 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.829 1.252 . . . . 0.0 111.035 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.71 110.59 4.36 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 125.285 1.434 . . . . 0.0 108.285 175.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.67 25.53 29.81 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.362 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.89 136.59 34.07 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 117.408 0.604 . . . . 0.0 109.541 165.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.8 p -97.33 -115.4 0.14 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -132.82 -51.74 0.91 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.818 0.447 . . . . 0.0 111.108 157.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -65.94 -31.2 71.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.462 0.305 . . . . 0.0 111.236 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -110.1 116.4 31.48 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.813 0.845 . . . . 0.0 109.755 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.91 179.24 5.67 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.323 2.249 . . . . 0.0 107.94 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.01 158.29 30.29 Favored Glycine 0 CA--C 1.527 0.829 0 O-C-N 121.858 -0.526 . . . . 0.0 111.806 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.0 t -106.35 154.68 20.43 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 168.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.57 -41.38 79.79 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.324 0.965 . . . . 0.0 109.826 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.5 mt -74.16 -23.28 59.22 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.256 1.022 . . . . 0.0 112.443 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -115.09 77.61 5.2 Favored Pre-proline 0 C--N 1.339 0.144 0 C-N-CA 124.183 0.993 . . . . 0.0 109.832 175.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -66.16 158.52 54.23 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 N-CA-C 108.813 -1.264 . . . . 0.0 108.813 164.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.67 -51.76 2.69 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 123.558 0.599 . . . . 0.0 112.742 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -78.84 176.08 9.9 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.711 0.756 . . . . 0.0 109.938 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.3 mt -130.61 128.2 40.53 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.441 1.097 . . . . 0.0 109.736 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.1 pp -94.19 150.11 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.932 0.893 . . . . 0.0 109.495 172.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -73.82 128.28 35.08 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 168.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.0 m -56.84 -38.05 56.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 122.843 0.457 . . . . 0.0 111.107 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.7 8.58 21.92 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.574 0.75 . . . . 0.0 111.445 -177.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.27 176.95 30.78 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -149.62 153.03 36.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 118.886 1.343 . . . . 0.0 108.84 -172.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.1 156.79 47.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.726 1.21 . . . . 0.0 109.199 167.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.16 -42.75 51.57 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.77 1.228 . . . . 0.0 112.424 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.8 m -75.56 59.51 1.13 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.19 0.596 . . . . 0.0 110.155 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.405 ' CZ2' ' HG2' ' A' ' 41' ' ' GLN . 65.5 t90 -83.68 -96.91 0.06 Allowed 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 m 73.36 126.7 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.821 1.648 . . . . 0.0 110.0 -170.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.444 ' CD2' ' H ' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -55.02 157.45 3.29 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 123.141 1.448 . . . . 0.0 112.086 173.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' H ' ' CD2' ' A' ' 82' ' ' LEU . 29.2 ttpp -58.11 127.06 30.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 112.303 -2.226 . . . . 0.0 109.504 171.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.6 75.16 1.05 Allowed 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 124.891 1.276 . . . . 0.0 107.771 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 N-CA-C 103.691 -3.764 . . . . 0.0 103.691 -167.055 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.467 0.405 0 CA-C-O 117.803 -1.094 . . . . 0.0 108.324 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.05 147.53 99.05 Favored Pre-proline 0 CA--C 1.534 0.331 0 O-C-N 123.763 0.665 . . . . 0.0 109.439 172.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.73 166.19 27.49 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.14 1.894 . . . . 0.0 110.728 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.91 80.11 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.471 0.709 . . . . 0.0 111.353 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -93.59 25.87 3.31 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.46 1.104 . . . . 0.0 111.453 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.36 137.97 56.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.321 -0.862 . . . . 0.0 109.39 168.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.0 t -66.13 115.17 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 168.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.53 146.63 42.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.847 0.859 . . . . 0.0 110.046 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.84 -25.94 31.89 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 168.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.31 -2.44 52.22 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.151 1.38 . . . . 0.0 110.971 -175.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.19 135.96 57.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.236 -0.915 . . . . 0.0 109.88 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.79 -42.66 65.24 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.495 0.718 . . . . 0.0 112.113 -176.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -72.87 -42.25 63.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 19' ' ' TYR . . . -55.82 -37.59 68.89 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.346 -0.846 . . . . 0.0 110.907 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt -66.79 -37.83 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 126.011 1.725 . . . . 0.0 109.658 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.4 74.8 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.663 0.385 . . . . 0.0 111.221 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -90.06 -13.79 35.17 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.689 0.396 . . . . 0.0 111.235 -170.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt 59.04 43.67 17.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.87 1.268 . . . . 0.0 110.27 -170.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.429 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 1.2 t80 -64.47 140.47 58.87 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.015 169.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -148.85 132.19 16.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 160.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -45.48 -48.19 14.0 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 125.614 1.566 . . . . 0.0 110.249 164.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -79.85 73.92 6.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.24 -40.61 7.59 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.962 -0.461 . . . . 0.0 112.188 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -47.59 70.82 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.952 0.901 . . . . 0.0 111.219 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -99.45 49.09 0.94 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.252 1.021 . . . . 0.0 110.093 173.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -117.26 179.49 4.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.111 0.965 . . . . 0.0 109.436 165.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -74.95 29.1 0.09 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.738 0.815 . . . . 0.0 111.683 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HG2' ' CE2' ' A' ' 76' ' ' TRP . 19.0 mtm180 -63.16 -67.69 0.4 Allowed 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.205 -0.934 . . . . 0.0 109.892 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -35.67 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -175.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.0 88.14 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.88 0.872 . . . . 0.0 111.589 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.17 -33.8 43.68 Favored 'General case' 0 CA--C 1.527 0.077 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 42.48 51.13 4.82 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.204 2.202 . . . . 0.0 111.994 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -63.4 135.94 96.48 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.52 166.17 30.53 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.773 2.315 . . . . 0.0 111.222 -173.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.65 -44.05 1.43 Allowed Glycine 0 CA--C 1.527 0.822 0 C-N-CA 124.331 0.967 . . . . 0.0 111.523 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.4 tp -153.57 145.56 16.94 Favored Pre-proline 0 C--O 1.232 0.175 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.43 142.91 88.74 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 CA-C-N 121.003 1.394 . . . . 0.0 110.962 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -47.17 -45.38 21.89 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.102 2.535 . . . . 0.0 112.272 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -47.62 -53.68 14.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.016 0.926 . . . . 0.0 111.65 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -67.61 -33.88 75.87 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.239 1.415 . . . . 0.0 113.093 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.415 ' HG2' ' CH2' ' A' ' 80' ' ' TRP . 75.5 mt-30 -57.38 126.14 25.95 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.652 1.114 . . . . 0.0 112.221 -178.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -154.3 173.26 16.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.296 1.438 . . . . 0.0 108.486 165.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.9 m -47.88 -40.43 21.61 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.659 1.184 . . . . 0.0 109.706 169.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.24 -35.71 0.66 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.442 1.497 . . . . 0.0 113.638 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -127.22 30.37 5.42 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.659 0.784 . . . . 0.0 111.449 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.9 t -82.96 145.53 29.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.738 1.215 . . . . 0.0 109.489 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.84 -50.98 60.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.884 0.85 . . . . 0.0 109.227 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -79.49 63.42 4.08 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.896 1.279 . . . . 0.0 110.132 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -128.87 157.51 41.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.16 1.784 . . . . 0.0 110.159 -173.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -139.36 103.26 4.69 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.07 0.948 . . . . 0.0 111.315 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.79 58.21 4.53 Favored 'General case' 0 N--CA 1.462 0.134 0 O-C-N 120.706 -1.247 . . . . 0.0 108.03 150.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -155.04 44.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.265 1.826 . . . . 0.0 107.355 -173.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.27 137.47 53.65 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.829 1.252 . . . . 0.0 111.035 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.71 110.59 4.36 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 125.285 1.434 . . . . 0.0 108.285 175.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.67 25.53 29.81 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.362 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.89 136.59 34.07 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 117.408 0.604 . . . . 0.0 109.541 165.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.8 p -97.33 -115.4 0.14 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -132.82 -51.74 0.91 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.818 0.447 . . . . 0.0 111.108 157.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -65.94 -31.2 71.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.462 0.305 . . . . 0.0 111.236 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -110.1 116.4 31.48 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.813 0.845 . . . . 0.0 109.755 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.91 179.24 5.67 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.323 2.249 . . . . 0.0 107.94 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.01 158.29 30.29 Favored Glycine 0 CA--C 1.527 0.829 0 O-C-N 121.858 -0.526 . . . . 0.0 111.806 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.638 ' HB3' ' HB2' ' A' ' 66' ' ' PHE . 41.0 t -106.35 154.68 20.43 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 168.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.57 -41.38 79.79 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.324 0.965 . . . . 0.0 109.826 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.5 mt -74.16 -23.28 59.22 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.256 1.022 . . . . 0.0 112.443 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.638 ' HB2' ' HB3' ' A' ' 63' ' ' CYS . 96.5 m-85 -115.09 77.61 5.2 Favored Pre-proline 0 C--N 1.339 0.144 0 C-N-CA 124.183 0.993 . . . . 0.0 109.832 175.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -66.16 158.52 54.23 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 N-CA-C 108.813 -1.264 . . . . 0.0 108.813 164.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.67 -51.76 2.69 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 123.558 0.599 . . . . 0.0 112.742 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -78.84 176.08 9.9 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.711 0.756 . . . . 0.0 109.938 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.3 mt -130.61 128.2 40.53 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.441 1.097 . . . . 0.0 109.736 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 71' ' ' ILE . 2.1 pp -94.19 150.11 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.932 0.893 . . . . 0.0 109.495 172.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -73.82 128.28 35.08 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 168.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.0 m -56.84 -38.05 56.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 122.843 0.457 . . . . 0.0 111.107 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.7 8.58 21.92 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.574 0.75 . . . . 0.0 111.445 -177.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.27 176.95 30.78 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.46 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 20.2 t90 -149.62 153.03 36.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 118.886 1.343 . . . . 0.0 108.84 -172.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.1 156.79 47.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.726 1.21 . . . . 0.0 109.199 167.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.411 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . . . -50.16 -42.75 51.57 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.77 1.228 . . . . 0.0 112.424 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.8 m -75.56 59.51 1.13 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.19 0.596 . . . . 0.0 110.155 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.415 ' CH2' ' HG2' ' A' ' 41' ' ' GLN . 65.5 t90 -83.68 -96.91 0.06 Allowed 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 m 73.36 126.7 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.821 1.648 . . . . 0.0 110.0 -170.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.02 157.45 3.29 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 123.141 1.448 . . . . 0.0 112.086 173.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.11 127.06 30.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 112.303 -2.226 . . . . 0.0 109.504 171.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.6 75.16 1.05 Allowed 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 124.891 1.276 . . . . 0.0 107.771 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 N-CA-C 103.691 -3.764 . . . . 0.0 103.691 -167.055 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.467 0.405 0 CA-C-O 117.803 -1.094 . . . . 0.0 108.324 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.05 147.53 99.05 Favored Pre-proline 0 CA--C 1.534 0.331 0 O-C-N 123.763 0.665 . . . . 0.0 109.439 172.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.73 166.19 27.49 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.14 1.894 . . . . 0.0 110.728 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.91 80.11 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.471 0.709 . . . . 0.0 111.353 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -93.59 25.87 3.31 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.46 1.104 . . . . 0.0 111.453 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.36 137.97 56.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.321 -0.862 . . . . 0.0 109.39 168.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.0 t -66.13 115.17 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 168.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.53 146.63 42.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.847 0.859 . . . . 0.0 110.046 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.84 -25.94 31.89 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 168.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.31 -2.44 52.22 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.151 1.38 . . . . 0.0 110.971 -175.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.19 135.96 57.91 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.236 -0.915 . . . . 0.0 109.88 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.79 -42.66 65.24 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.495 0.718 . . . . 0.0 112.113 -176.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -72.87 -42.25 63.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 19' ' ' TYR . . . -55.82 -37.59 68.89 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.346 -0.846 . . . . 0.0 110.907 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.4 mt -66.79 -37.83 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 126.011 1.725 . . . . 0.0 109.658 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.4 74.8 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.663 0.385 . . . . 0.0 111.221 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -90.06 -13.79 35.17 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.689 0.396 . . . . 0.0 111.235 -170.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt 59.04 43.67 17.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.87 1.268 . . . . 0.0 110.27 -170.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.429 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 1.2 t80 -64.47 140.47 58.87 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.015 169.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -148.85 132.19 16.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 160.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -45.48 -48.19 14.0 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 125.614 1.566 . . . . 0.0 110.249 164.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -79.85 73.92 6.6 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.24 -40.61 7.59 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.962 -0.461 . . . . 0.0 112.188 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -47.59 70.82 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.952 0.901 . . . . 0.0 111.219 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -99.45 49.09 0.94 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.252 1.021 . . . . 0.0 110.093 173.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 t -117.26 179.49 4.02 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.111 0.965 . . . . 0.0 109.436 165.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -74.95 29.1 0.09 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.738 0.815 . . . . 0.0 111.683 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HG2' ' CE2' ' A' ' 76' ' ' TRP . 19.0 mtm180 -63.16 -67.69 0.4 Allowed 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.205 -0.934 . . . . 0.0 109.892 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -35.67 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -175.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.0 88.14 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.88 0.872 . . . . 0.0 111.589 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.17 -33.8 43.68 Favored 'General case' 0 CA--C 1.527 0.077 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 42.48 51.13 4.82 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.204 2.202 . . . . 0.0 111.994 -175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -63.4 135.94 96.48 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.52 166.17 30.53 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.773 2.315 . . . . 0.0 111.222 -173.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.65 -44.05 1.43 Allowed Glycine 0 CA--C 1.527 0.822 0 C-N-CA 124.331 0.967 . . . . 0.0 111.523 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.4 tp -153.57 145.56 16.94 Favored Pre-proline 0 C--O 1.232 0.175 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.43 142.91 88.74 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 CA-C-N 121.003 1.394 . . . . 0.0 110.962 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -47.17 -45.38 21.89 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.102 2.535 . . . . 0.0 112.272 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -47.62 -53.68 14.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.016 0.926 . . . . 0.0 111.65 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -67.61 -33.88 75.87 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.239 1.415 . . . . 0.0 113.093 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.415 ' HG2' ' CH2' ' A' ' 80' ' ' TRP . 75.5 mt-30 -57.38 126.14 25.95 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.652 1.114 . . . . 0.0 112.221 -178.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -154.3 173.26 16.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.296 1.438 . . . . 0.0 108.486 165.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.9 m -47.88 -40.43 21.61 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.659 1.184 . . . . 0.0 109.706 169.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.24 -35.71 0.66 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.442 1.497 . . . . 0.0 113.638 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -127.22 30.37 5.42 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.659 0.784 . . . . 0.0 111.449 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.9 t -82.96 145.53 29.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.738 1.215 . . . . 0.0 109.489 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.84 -50.98 60.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.884 0.85 . . . . 0.0 109.227 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -79.49 63.42 4.08 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.896 1.279 . . . . 0.0 110.132 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -128.87 157.51 41.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.16 1.784 . . . . 0.0 110.159 -173.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -139.36 103.26 4.69 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.07 0.948 . . . . 0.0 111.315 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.79 58.21 4.53 Favored 'General case' 0 N--CA 1.462 0.134 0 O-C-N 120.706 -1.247 . . . . 0.0 108.03 150.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -155.04 44.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.265 1.826 . . . . 0.0 107.355 -173.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.27 137.47 53.65 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.829 1.252 . . . . 0.0 111.035 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.71 110.59 4.36 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 125.285 1.434 . . . . 0.0 108.285 175.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.67 25.53 29.81 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.362 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.89 136.59 34.07 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 117.408 0.604 . . . . 0.0 109.541 165.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.8 p -97.33 -115.4 0.14 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -132.82 -51.74 0.91 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.818 0.447 . . . . 0.0 111.108 157.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -65.94 -31.2 71.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.462 0.305 . . . . 0.0 111.236 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -110.1 116.4 31.48 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.813 0.845 . . . . 0.0 109.755 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.91 179.24 5.67 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.323 2.249 . . . . 0.0 107.94 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.01 158.29 30.29 Favored Glycine 0 CA--C 1.527 0.829 0 O-C-N 121.858 -0.526 . . . . 0.0 111.806 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.638 ' HB3' ' HB2' ' A' ' 66' ' ' PHE . 41.0 t -106.35 154.68 20.43 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 168.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.57 -41.38 79.79 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.324 0.965 . . . . 0.0 109.826 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.5 mt -74.16 -23.28 59.22 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.256 1.022 . . . . 0.0 112.443 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.638 ' HB2' ' HB3' ' A' ' 63' ' ' CYS . 96.5 m-85 -115.09 77.61 5.2 Favored Pre-proline 0 C--N 1.339 0.144 0 C-N-CA 124.183 0.993 . . . . 0.0 109.832 175.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -66.16 158.52 54.23 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 N-CA-C 108.813 -1.264 . . . . 0.0 108.813 164.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.67 -51.76 2.69 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 123.558 0.599 . . . . 0.0 112.742 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -78.84 176.08 9.9 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.711 0.756 . . . . 0.0 109.938 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.3 mt -130.61 128.2 40.53 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.441 1.097 . . . . 0.0 109.736 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 71' ' ' ILE . 2.1 pp -94.19 150.11 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.932 0.893 . . . . 0.0 109.495 172.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -73.82 128.28 35.08 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 168.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.0 m -56.84 -38.05 56.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 122.843 0.457 . . . . 0.0 111.107 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.7 8.58 21.92 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.574 0.75 . . . . 0.0 111.445 -177.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.27 176.95 30.78 Favored Glycine 0 C--N 1.337 0.639 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.46 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 20.2 t90 -149.62 153.03 36.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 118.886 1.343 . . . . 0.0 108.84 -172.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.1 156.79 47.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.726 1.21 . . . . 0.0 109.199 167.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.411 ' HA ' ' CH2' ' A' ' 76' ' ' TRP . . . -50.16 -42.75 51.57 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.77 1.228 . . . . 0.0 112.424 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.8 m -75.56 59.51 1.13 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.19 0.596 . . . . 0.0 110.155 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.415 ' CH2' ' HG2' ' A' ' 41' ' ' GLN . 65.5 t90 -83.68 -96.91 0.06 Allowed 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 m 73.36 126.7 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.821 1.648 . . . . 0.0 110.0 -170.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.02 157.45 3.29 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 123.141 1.448 . . . . 0.0 112.086 173.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -58.11 127.06 30.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 112.303 -2.226 . . . . 0.0 109.504 171.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.6 75.16 1.05 Allowed 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 124.891 1.276 . . . . 0.0 107.771 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 N-CA-C 103.691 -3.764 . . . . 0.0 103.691 -167.055 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_