data_1rcl_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 1rcl _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' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -145.0 76.0 1.47 Allowed 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.425 0.69 . . . . 0.0 111.096 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.66 84.71 0.09 Allowed 'General case' 0 C--N 1.342 0.25 0 C-N-CA 125.699 1.599 . . . . 0.0 112.041 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 t -100.16 131.16 46.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.2 0.6 . . . . 0.0 109.535 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.72 110.42 21.44 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 105.016 -2.216 . . . . 0.0 105.016 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.7 m -91.2 76.94 6.01 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.845 0.858 . . . . 0.0 109.798 -179.169 -72.798 -57.69 96.811 103.025 2.044 104.0 -141.915 -52.284 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.84 -73.0 1.97 Allowed Glycine 0 C--N 1.34 0.783 0 C-N-CA 125.15 1.357 . . . . 0.0 110.536 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.6 p -127.1 -41.21 1.8 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.676 1.591 . . . . 0.0 110.245 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 m -70.38 103.45 2.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.967 0.907 . . . . 0.0 109.769 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -80.11 144.25 33.24 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.771 0.828 . . . . 0.0 110.837 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -137.36 118.94 14.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.983 1.313 . . . . 0.0 108.611 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 m -63.2 157.44 22.55 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 125.124 1.369 . . . . 0.0 110.424 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.26 -19.75 56.06 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 t -75.13 -41.42 58.46 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.82 1.248 . . . . 0.0 109.17 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -71.49 -43.37 66.68 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.642 1.177 . . . . 0.0 112.308 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.85 -47.66 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -64.5 -38.48 91.15 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.612 1.165 . . . . 0.0 111.063 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.8 -52.76 55.13 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.636 0.653 . . . . 0.0 110.107 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.92 76.99 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.726 0.81 . . . . 0.0 111.515 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.57 -39.44 45.73 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -68.21 -20.33 64.83 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.17 -57.63 3.1 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.54 -39.86 17.39 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.164 1.386 . . . . 0.0 109.761 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.4 t -63.23 -56.89 12.83 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.528 1.531 . . . . 0.0 110.259 178.625 162.986 171.305 -106.109 103.791 2.045 103.484 63.406 -139.038 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -58.55 -34.96 71.61 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -80.22 -45.73 17.5 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -75.99 -14.31 60.23 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -74.07 -67.42 0.61 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.48 1.036 . . . . 0.0 110.639 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -176.51 37.8 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -153.4 95.96 1.98 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.312 0.96 . . . . 0.0 110.832 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 89.63 157.0 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 128.102 2.561 . . . . 0.0 113.963 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.1 p -129.81 67.39 1.46 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.26 93.84 0.04 OUTLIER 'General case' 0 C--N 1.344 0.359 0 C-N-CA 125.269 1.428 . . . . 0.0 111.473 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.1 -132.86 5.34 Favored Glycine 0 C--N 1.344 0.982 0 C-N-CA 127.106 2.288 . . . . 0.0 108.677 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p 71.99 133.92 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.413 1.885 . . . . 0.0 115.998 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.2 m -81.09 -39.68 25.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 110.718 -2.946 . . . . 0.0 107.03 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.1 p -147.19 -32.04 0.31 Allowed 'General case' 0 C--N 1.347 0.489 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -84.54 126.59 68.58 Favored Pre-proline 0 N--CA 1.471 0.583 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -81.08 148.41 74.46 Favored 'Cis proline' 0 N--CA 1.453 -0.863 0 CA-C-N 121.192 1.462 . . . . 0.0 113.588 3.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.46 143.3 10.11 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.638 1.975 . . . . 0.0 108.509 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.0 m -46.19 123.6 4.85 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 127.001 2.12 . . . . 0.0 112.51 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -83.37 64.77 7.99 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.915 1.686 . . . . 0.0 106.571 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -67.16 146.49 54.17 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.245 1.818 . . . . 0.0 114.051 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . 0.252 37.1 p-10 32.72 -156.62 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 131.11 3.764 . . . . 0.0 117.832 178.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 67.44 151.35 0.07 Allowed 'General case' 0 C--N 1.346 0.439 0 C-N-CA 128.413 2.685 . . . . 0.0 114.218 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -89.84 -174.69 4.36 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.198 1.799 . . . . 0.0 109.374 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.5 -59.58 0.93 Allowed Glycine 0 C--N 1.341 0.823 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -130.17 144.63 51.47 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.013 0.925 . . . . 0.0 112.846 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -165.34 157.73 15.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 128.565 2.746 . . . . 0.0 106.417 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -121.31 142.99 36.41 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 123.154 0.581 . . . . 0.0 110.713 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.92 72.91 5.02 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 124.05 3.167 . . . . 0.0 111.158 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.58 -114.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.419 1.488 . . . . 0.0 108.203 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -157.89 -56.09 0.07 Allowed 'General case' 0 C--N 1.343 0.303 0 CA-C-N 119.311 0.959 . . . . 0.0 110.65 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.63 -152.69 30.7 Favored Glycine 0 CA--C 1.537 1.433 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -62.76 124.82 3.37 Favored 'Cis proline' 0 N--CA 1.455 -0.764 0 CA-C-N 118.956 1.378 . . . . 0.0 111.393 -1.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.96 157.53 18.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.167 1.387 . . . . 0.0 110.874 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.26 159.67 40.23 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 124.361 1.064 . . . . 0.0 111.752 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -86.43 160.04 19.16 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.993 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -160.21 102.57 1.39 Allowed Pre-proline 0 N--CA 1.452 -0.367 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -77.02 126.95 9.03 Favored 'Trans proline' 0 N--CA 1.439 -1.689 0 C-N-CA 122.093 1.862 . . . . 0.0 111.337 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.619 ' CG1' ' H ' ' A' ' 62' ' ' LYS . 6.3 tt -88.63 173.46 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 CA-C-O 124.076 1.894 . . . . 0.0 113.425 -178.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.619 ' H ' ' CG1' ' A' ' 61' ' ' ILE . 23.3 mmtt -147.2 144.99 29.33 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 108.905 -3.771 . . . . 0.0 111.877 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.5 t -89.18 63.36 6.55 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 125.842 1.657 . . . . 0.0 109.678 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.3 -46.88 0.02 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.49 -164.16 32.01 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.4 t -67.71 151.52 10.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.84 1.256 . . . . 0.0 109.333 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -3.67 118.24 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 129.528 3.131 . . . . 0.0 116.776 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.9 p -122.61 -51.19 1.95 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.09 1.356 . . . . 0.0 108.32 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.03 56.14 2.12 Favored Glycine 0 C--N 1.341 0.84 0 C-N-CA 125.068 1.318 . . . . 0.0 109.967 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.07 -54.77 3.28 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 124.105 0.86 . . . . 0.0 112.039 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.9 m 81.8 135.34 0.04 OUTLIER Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 126.975 2.11 . . . . 0.0 110.188 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.31 170.4 23.09 Favored 'Cis proline' 0 C--N 1.348 0.541 0 CA-C-N 120.182 1.101 . . . . 0.0 113.755 -4.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -140.03 58.21 0.59 Allowed Glycine 0 C--N 1.339 0.73 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.78 -53.08 60.79 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.68 122.06 17.74 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.794 1.637 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -144.56 128.8 17.76 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.5 m -92.14 148.54 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -133.13 134.31 57.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 pt -118.96 175.21 3.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 124.855 1.262 . . . . 0.0 113.815 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -99.1 159.44 14.98 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 128.281 2.632 . . . . 0.0 107.162 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . 0.287 11.4 t -79.35 59.53 2.89 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -157.36 -86.45 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 102.745 -3.057 . . . . 0.0 102.745 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.22 5.16 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.201 1.4 . . . . 0.0 114.219 179.306 -139.038 63.406 -106.109 103.484 2.045 103.791 171.305 162.986 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -89.93 139.57 30.47 Favored 'General case' 0 C--N 1.344 0.353 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -176.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -74.22 127.4 32.87 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.84 1.256 . . . . 0.0 108.91 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.67 -54.2 4.52 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.671 1.188 . . . . 0.0 109.421 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.48 -175.49 45.62 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.34 121.11 16.41 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.222 1.409 . . . . 0.0 107.8 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.3 pt -124.44 161.35 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 125.372 1.469 . . . . 0.0 108.909 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -156.31 150.29 25.15 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -81.01 -9.27 59.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 118.734 -0.651 . . . . 0.0 111.24 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.1 m -40.81 -65.33 0.43 Allowed 'General case' 0 C--N 1.348 0.526 0 C-N-CA 125.944 1.698 . . . . 0.0 113.556 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.76 15.2 63.19 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.129 0.871 . . . . 0.0 113.215 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.46 -179.92 4.37 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.512 1.125 . . . . 0.0 111.446 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.8 t -95.73 64.12 2.47 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.957 1.703 . . . . 0.0 110.924 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.53 -87.01 0.72 Allowed Glycine 0 CA--C 1.524 0.641 0 C-N-CA 124.61 1.1 . . . . 0.0 113.817 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -79.96 -25.64 40.31 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.658 0.783 . . . . 0.0 111.884 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -66.41 -178.45 0.67 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.292 1.037 . . . . 0.0 111.637 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -136.85 161.01 37.18 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.702 1.201 . . . . 0.0 112.605 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.6 m -142.86 166.01 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 127.37 2.268 . . . . 0.0 106.89 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.81 143.0 16.41 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 123.207 0.432 . . . . 0.0 113.018 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 39.1 m -83.92 -174.17 5.13 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.845 0.858 . . . . 0.0 108.956 178.483 -52.284 -141.915 96.811 104.0 2.044 103.025 -57.69 -72.798 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 t -70.0 116.01 9.87 Favored 'General case' 0 C--N 1.341 0.217 0 O-C-N 121.742 -0.599 . . . . 0.0 111.781 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.37 -34.74 5.23 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.3 m -84.15 133.12 34.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.393 1.077 . . . . 0.0 108.968 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.5 t30 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.111 -1.423 . . . . 0.0 108.929 -179.38 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -145.0 76.0 1.47 Allowed 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.425 0.69 . . . . 0.0 111.096 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.66 84.71 0.09 Allowed 'General case' 0 C--N 1.342 0.25 0 C-N-CA 125.699 1.599 . . . . 0.0 112.041 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.414 HG22 ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -100.16 131.16 46.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.2 0.6 . . . . 0.0 109.535 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.72 110.42 21.44 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 105.016 -2.216 . . . . 0.0 105.016 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.7 m -91.2 76.94 6.01 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.845 0.858 . . . . 0.0 109.798 -179.169 -72.798 -57.69 96.811 103.025 2.044 104.0 -141.915 -52.284 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.84 -73.0 1.97 Allowed Glycine 0 C--N 1.34 0.783 0 C-N-CA 125.15 1.357 . . . . 0.0 110.536 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.6 p -127.1 -41.21 1.8 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.676 1.591 . . . . 0.0 110.245 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 m -70.38 103.45 2.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.967 0.907 . . . . 0.0 109.769 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -80.11 144.25 33.24 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.771 0.828 . . . . 0.0 110.837 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -137.36 118.94 14.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.983 1.313 . . . . 0.0 108.611 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 m -63.2 157.44 22.55 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 125.124 1.369 . . . . 0.0 110.424 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.26 -19.75 56.06 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 t -75.13 -41.42 58.46 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.82 1.248 . . . . 0.0 109.17 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -71.49 -43.37 66.68 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.642 1.177 . . . . 0.0 112.308 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.414 ' CG2' HG22 ' A' ' 4' ' ' THR . 40.6 t -62.85 -47.66 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -64.5 -38.48 91.15 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.612 1.165 . . . . 0.0 111.063 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.8 -52.76 55.13 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.636 0.653 . . . . 0.0 110.107 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.92 76.99 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.726 0.81 . . . . 0.0 111.515 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.57 -39.44 45.73 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -68.21 -20.33 64.83 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.17 -57.63 3.1 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.54 -39.86 17.39 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.164 1.386 . . . . 0.0 109.761 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.4 t -63.23 -56.89 12.83 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.528 1.531 . . . . 0.0 110.259 178.625 162.986 171.305 -106.109 103.791 2.045 103.484 63.406 -139.038 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -58.55 -34.96 71.61 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -80.22 -45.73 17.5 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 57' ' ' GLN . 80.7 t80 -75.99 -14.31 60.23 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -74.07 -67.42 0.61 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.48 1.036 . . . . 0.0 110.639 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -176.51 37.8 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -153.4 95.96 1.98 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.312 0.96 . . . . 0.0 110.832 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 89.63 157.0 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 128.102 2.561 . . . . 0.0 113.963 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.1 p -129.81 67.39 1.46 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.26 93.84 0.04 OUTLIER 'General case' 0 C--N 1.344 0.359 0 C-N-CA 125.269 1.428 . . . . 0.0 111.473 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.1 -132.86 5.34 Favored Glycine 0 C--N 1.344 0.982 0 C-N-CA 127.106 2.288 . . . . 0.0 108.677 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p 71.99 133.92 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.413 1.885 . . . . 0.0 115.998 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.2 m -81.09 -39.68 25.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 110.718 -2.946 . . . . 0.0 107.03 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.1 p -147.19 -32.04 0.31 Allowed 'General case' 0 C--N 1.347 0.489 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.405 ' CD2' ' HD3' ' A' ' 60' ' ' PRO . 29.3 m-85 -84.54 126.59 68.58 Favored Pre-proline 0 N--CA 1.471 0.583 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -176.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -81.08 148.41 74.46 Favored 'Cis proline' 0 N--CA 1.453 -0.863 0 CA-C-N 121.192 1.462 . . . . 0.0 113.588 3.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.46 143.3 10.11 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.638 1.975 . . . . 0.0 108.509 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.0 m -46.19 123.6 4.85 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 127.001 2.12 . . . . 0.0 112.51 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -83.37 64.77 7.99 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.915 1.686 . . . . 0.0 106.571 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -67.16 146.49 54.17 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.245 1.818 . . . . 0.0 114.051 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . 0.252 37.1 p-10 32.72 -156.62 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 131.11 3.764 . . . . 0.0 117.832 178.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 67.44 151.35 0.07 Allowed 'General case' 0 C--N 1.346 0.439 0 C-N-CA 128.413 2.685 . . . . 0.0 114.218 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -89.84 -174.69 4.36 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.198 1.799 . . . . 0.0 109.374 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.5 -59.58 0.93 Allowed Glycine 0 C--N 1.341 0.823 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -130.17 144.63 51.47 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.013 0.925 . . . . 0.0 112.846 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -165.34 157.73 15.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 128.565 2.746 . . . . 0.0 106.417 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -121.31 142.99 36.41 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 123.154 0.581 . . . . 0.0 110.713 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.92 72.91 5.02 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 124.05 3.167 . . . . 0.0 111.158 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.58 -114.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.419 1.488 . . . . 0.0 108.203 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -157.89 -56.09 0.07 Allowed 'General case' 0 C--N 1.343 0.303 0 CA-C-N 119.311 0.959 . . . . 0.0 110.65 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.63 -152.69 30.7 Favored Glycine 0 CA--C 1.537 1.433 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -62.76 124.82 3.37 Favored 'Cis proline' 0 N--CA 1.455 -0.764 0 CA-C-N 118.956 1.378 . . . . 0.0 111.393 -1.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.96 157.53 18.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.167 1.387 . . . . 0.0 110.874 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.26 159.67 40.23 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 124.361 1.064 . . . . 0.0 111.752 -179.129 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -86.43 160.04 19.16 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.993 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -160.21 102.57 1.39 Allowed Pre-proline 0 N--CA 1.452 -0.367 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' CD2' ' A' ' 38' ' ' TYR . 36.0 Cg_endo -77.02 126.95 9.03 Favored 'Trans proline' 0 N--CA 1.439 -1.689 0 C-N-CA 122.093 1.862 . . . . 0.0 111.337 -176.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.535 ' CG1' ' H ' ' A' ' 62' ' ' LYS . 6.3 tt -88.63 173.46 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 CA-C-O 124.076 1.894 . . . . 0.0 113.425 -178.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.535 ' H ' ' CG1' ' A' ' 61' ' ' ILE . 23.3 mmtt -147.2 144.99 29.33 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 108.905 -3.771 . . . . 0.0 111.877 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.5 t -89.18 63.36 6.55 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 125.842 1.657 . . . . 0.0 109.678 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.3 -46.88 0.02 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.49 -164.16 32.01 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.4 t -67.71 151.52 10.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.84 1.256 . . . . 0.0 109.333 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -3.67 118.24 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 129.528 3.131 . . . . 0.0 116.776 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.9 p -122.61 -51.19 1.95 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.09 1.356 . . . . 0.0 108.32 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.03 56.14 2.12 Favored Glycine 0 C--N 1.341 0.84 0 C-N-CA 125.068 1.318 . . . . 0.0 109.967 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.07 -54.77 3.28 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 124.105 0.86 . . . . 0.0 112.039 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.9 m 81.8 135.34 0.04 OUTLIER Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 126.975 2.11 . . . . 0.0 110.188 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.31 170.4 23.09 Favored 'Cis proline' 0 C--N 1.348 0.541 0 CA-C-N 120.182 1.101 . . . . 0.0 113.755 -4.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -140.03 58.21 0.59 Allowed Glycine 0 C--N 1.339 0.73 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 91' ' ' HIS . . . -61.78 -53.08 60.79 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.68 122.06 17.74 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.794 1.637 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -144.56 128.8 17.76 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.5 m -92.14 148.54 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -133.13 134.31 57.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 pt -118.96 175.21 3.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 124.855 1.262 . . . . 0.0 113.815 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -99.1 159.44 14.98 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 128.281 2.632 . . . . 0.0 107.162 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . 0.287 11.4 t -79.35 59.53 2.89 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -157.36 -86.45 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 102.745 -3.057 . . . . 0.0 102.745 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.22 5.16 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.201 1.4 . . . . 0.0 114.219 179.306 -139.038 63.406 -106.109 103.484 2.045 103.791 171.305 162.986 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -89.93 139.57 30.47 Favored 'General case' 0 C--N 1.344 0.353 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -176.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -74.22 127.4 32.87 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.84 1.256 . . . . 0.0 108.91 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.67 -54.2 4.52 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.671 1.188 . . . . 0.0 109.421 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.48 -175.49 45.62 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.34 121.11 16.41 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.222 1.409 . . . . 0.0 107.8 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.3 pt -124.44 161.35 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 125.372 1.469 . . . . 0.0 108.909 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -156.31 150.29 25.15 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.405 ' HB2' ' HB1' ' A' ' 74' ' ' ALA . 12.6 m170 -81.01 -9.27 59.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 118.734 -0.651 . . . . 0.0 111.24 175.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.1 m -40.81 -65.33 0.43 Allowed 'General case' 0 C--N 1.348 0.526 0 C-N-CA 125.944 1.698 . . . . 0.0 113.556 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.76 15.2 63.19 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.129 0.871 . . . . 0.0 113.215 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.46 -179.92 4.37 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.512 1.125 . . . . 0.0 111.446 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.8 t -95.73 64.12 2.47 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.957 1.703 . . . . 0.0 110.924 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.53 -87.01 0.72 Allowed Glycine 0 CA--C 1.524 0.641 0 C-N-CA 124.61 1.1 . . . . 0.0 113.817 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -79.96 -25.64 40.31 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.658 0.783 . . . . 0.0 111.884 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -66.41 -178.45 0.67 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.292 1.037 . . . . 0.0 111.637 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -136.85 161.01 37.18 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.702 1.201 . . . . 0.0 112.605 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.6 m -142.86 166.01 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 127.37 2.268 . . . . 0.0 106.89 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.81 143.0 16.41 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 123.207 0.432 . . . . 0.0 113.018 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 39.1 m -83.92 -174.17 5.13 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.845 0.858 . . . . 0.0 108.956 178.483 -52.284 -141.915 96.811 104.0 2.044 103.025 -57.69 -72.798 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 t -70.0 116.01 9.87 Favored 'General case' 0 C--N 1.341 0.217 0 O-C-N 121.742 -0.599 . . . . 0.0 111.781 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.37 -34.74 5.23 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.3 m -84.15 133.12 34.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.393 1.077 . . . . 0.0 108.968 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.5 t30 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.111 -1.423 . . . . 0.0 108.929 -179.38 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -145.0 76.0 1.47 Allowed 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.425 0.69 . . . . 0.0 111.096 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.66 84.71 0.09 Allowed 'General case' 0 C--N 1.342 0.25 0 C-N-CA 125.699 1.599 . . . . 0.0 112.041 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.414 HG22 ' CG2' ' A' ' 16' ' ' VAL . 2.8 t -100.16 131.16 46.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.2 0.6 . . . . 0.0 109.535 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.72 110.42 21.44 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 105.016 -2.216 . . . . 0.0 105.016 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.7 m -91.2 76.94 6.01 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.845 0.858 . . . . 0.0 109.798 -179.169 -72.798 -57.69 96.811 103.025 2.044 104.0 -141.915 -52.284 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.84 -73.0 1.97 Allowed Glycine 0 C--N 1.34 0.783 0 C-N-CA 125.15 1.357 . . . . 0.0 110.536 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.6 p -127.1 -41.21 1.8 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.676 1.591 . . . . 0.0 110.245 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 m -70.38 103.45 2.42 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.967 0.907 . . . . 0.0 109.769 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -80.11 144.25 33.24 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.771 0.828 . . . . 0.0 110.837 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -137.36 118.94 14.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.983 1.313 . . . . 0.0 108.611 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 m -63.2 157.44 22.55 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 125.124 1.369 . . . . 0.0 110.424 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.26 -19.75 56.06 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 t -75.13 -41.42 58.46 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.82 1.248 . . . . 0.0 109.17 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -71.49 -43.37 66.68 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.642 1.177 . . . . 0.0 112.308 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.414 ' CG2' HG22 ' A' ' 4' ' ' THR . 40.6 t -62.85 -47.66 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -64.5 -38.48 91.15 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.612 1.165 . . . . 0.0 111.063 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.8 -52.76 55.13 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.636 0.653 . . . . 0.0 110.107 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.92 76.99 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.726 0.81 . . . . 0.0 111.515 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.57 -39.44 45.73 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -68.21 -20.33 64.83 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.17 -57.63 3.1 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.54 -39.86 17.39 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.164 1.386 . . . . 0.0 109.761 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.4 t -63.23 -56.89 12.83 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.528 1.531 . . . . 0.0 110.259 178.625 162.986 171.305 -106.109 103.791 2.045 103.484 63.406 -139.038 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -58.55 -34.96 71.61 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -80.22 -45.73 17.5 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CZ ' ' HG2' ' A' ' 57' ' ' GLN . 80.7 t80 -75.99 -14.31 60.23 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -74.07 -67.42 0.61 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.48 1.036 . . . . 0.0 110.639 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -176.51 37.8 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -153.4 95.96 1.98 Allowed 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 119.312 0.96 . . . . 0.0 110.832 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 89.63 157.0 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 128.102 2.561 . . . . 0.0 113.963 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.1 p -129.81 67.39 1.46 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.26 93.84 0.04 OUTLIER 'General case' 0 C--N 1.344 0.359 0 C-N-CA 125.269 1.428 . . . . 0.0 111.473 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.1 -132.86 5.34 Favored Glycine 0 C--N 1.344 0.982 0 C-N-CA 127.106 2.288 . . . . 0.0 108.677 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p 71.99 133.92 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 126.413 1.885 . . . . 0.0 115.998 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.2 m -81.09 -39.68 25.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 110.718 -2.946 . . . . 0.0 107.03 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.1 p -147.19 -32.04 0.31 Allowed 'General case' 0 C--N 1.347 0.489 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.405 ' CD2' ' HD3' ' A' ' 60' ' ' PRO . 29.3 m-85 -84.54 126.59 68.58 Favored Pre-proline 0 N--CA 1.471 0.583 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -176.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -81.08 148.41 74.46 Favored 'Cis proline' 0 N--CA 1.453 -0.863 0 CA-C-N 121.192 1.462 . . . . 0.0 113.588 3.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.46 143.3 10.11 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.638 1.975 . . . . 0.0 108.509 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.0 m -46.19 123.6 4.85 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 127.001 2.12 . . . . 0.0 112.51 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -83.37 64.77 7.99 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.915 1.686 . . . . 0.0 106.571 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -67.16 146.49 54.17 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.245 1.818 . . . . 0.0 114.051 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . 0.252 37.1 p-10 32.72 -156.62 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 131.11 3.764 . . . . 0.0 117.832 178.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 67.44 151.35 0.07 Allowed 'General case' 0 C--N 1.346 0.439 0 C-N-CA 128.413 2.685 . . . . 0.0 114.218 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -89.84 -174.69 4.36 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.198 1.799 . . . . 0.0 109.374 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.5 -59.58 0.93 Allowed Glycine 0 C--N 1.341 0.823 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -130.17 144.63 51.47 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.013 0.925 . . . . 0.0 112.846 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -165.34 157.73 15.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 128.565 2.746 . . . . 0.0 106.417 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -121.31 142.99 36.41 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 123.154 0.581 . . . . 0.0 110.713 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.92 72.91 5.02 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 124.05 3.167 . . . . 0.0 111.158 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.58 -114.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.419 1.488 . . . . 0.0 108.203 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -157.89 -56.09 0.07 Allowed 'General case' 0 C--N 1.343 0.303 0 CA-C-N 119.311 0.959 . . . . 0.0 110.65 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.63 -152.69 30.7 Favored Glycine 0 CA--C 1.537 1.433 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -62.76 124.82 3.37 Favored 'Cis proline' 0 N--CA 1.455 -0.764 0 CA-C-N 118.956 1.378 . . . . 0.0 111.393 -1.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.96 157.53 18.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.167 1.387 . . . . 0.0 110.874 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -134.26 159.67 40.23 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 124.361 1.064 . . . . 0.0 111.752 -179.129 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -86.43 160.04 19.16 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.993 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -160.21 102.57 1.39 Allowed Pre-proline 0 N--CA 1.452 -0.367 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' CD2' ' A' ' 38' ' ' TYR . 36.0 Cg_endo -77.02 126.95 9.03 Favored 'Trans proline' 0 N--CA 1.439 -1.689 0 C-N-CA 122.093 1.862 . . . . 0.0 111.337 -176.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.535 ' CG1' ' H ' ' A' ' 62' ' ' LYS . 6.3 tt -88.63 173.46 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 CA-C-O 124.076 1.894 . . . . 0.0 113.425 -178.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.535 ' H ' ' CG1' ' A' ' 61' ' ' ILE . 23.3 mmtt -147.2 144.99 29.33 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 108.905 -3.771 . . . . 0.0 111.877 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.5 t -89.18 63.36 6.55 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 125.842 1.657 . . . . 0.0 109.678 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.3 -46.88 0.02 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.49 -164.16 32.01 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.4 t -67.71 151.52 10.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.84 1.256 . . . . 0.0 109.333 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -3.67 118.24 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 129.528 3.131 . . . . 0.0 116.776 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.9 p -122.61 -51.19 1.95 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.09 1.356 . . . . 0.0 108.32 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.03 56.14 2.12 Favored Glycine 0 C--N 1.341 0.84 0 C-N-CA 125.068 1.318 . . . . 0.0 109.967 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.07 -54.77 3.28 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 124.105 0.86 . . . . 0.0 112.039 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.9 m 81.8 135.34 0.04 OUTLIER Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 126.975 2.11 . . . . 0.0 110.188 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.31 170.4 23.09 Favored 'Cis proline' 0 C--N 1.348 0.541 0 CA-C-N 120.182 1.101 . . . . 0.0 113.755 -4.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -140.03 58.21 0.59 Allowed Glycine 0 C--N 1.339 0.73 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 91' ' ' HIS . . . -61.78 -53.08 60.79 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.68 122.06 17.74 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.794 1.637 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -144.56 128.8 17.76 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.5 m -92.14 148.54 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -133.13 134.31 57.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 pt -118.96 175.21 3.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 124.855 1.262 . . . . 0.0 113.815 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -99.1 159.44 14.98 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 128.281 2.632 . . . . 0.0 107.162 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . 0.287 11.4 t -79.35 59.53 2.89 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -157.36 -86.45 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 102.745 -3.057 . . . . 0.0 102.745 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -163.22 5.16 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.201 1.4 . . . . 0.0 114.219 179.306 -139.038 63.406 -106.109 103.484 2.045 103.791 171.305 162.986 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -89.93 139.57 30.47 Favored 'General case' 0 C--N 1.344 0.353 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -176.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -74.22 127.4 32.87 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.84 1.256 . . . . 0.0 108.91 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.67 -54.2 4.52 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.671 1.188 . . . . 0.0 109.421 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.48 -175.49 45.62 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.34 121.11 16.41 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.222 1.409 . . . . 0.0 107.8 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.3 pt -124.44 161.35 27.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 125.372 1.469 . . . . 0.0 108.909 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -156.31 150.29 25.15 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.405 ' HB2' ' HB1' ' A' ' 74' ' ' ALA . 12.6 m170 -81.01 -9.27 59.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 118.734 -0.651 . . . . 0.0 111.24 175.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.1 m -40.81 -65.33 0.43 Allowed 'General case' 0 C--N 1.348 0.526 0 C-N-CA 125.944 1.698 . . . . 0.0 113.556 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.76 15.2 63.19 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.129 0.871 . . . . 0.0 113.215 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.46 -179.92 4.37 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.512 1.125 . . . . 0.0 111.446 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.8 t -95.73 64.12 2.47 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.957 1.703 . . . . 0.0 110.924 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.53 -87.01 0.72 Allowed Glycine 0 CA--C 1.524 0.641 0 C-N-CA 124.61 1.1 . . . . 0.0 113.817 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -79.96 -25.64 40.31 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.658 0.783 . . . . 0.0 111.884 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -66.41 -178.45 0.67 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.292 1.037 . . . . 0.0 111.637 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -136.85 161.01 37.18 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.702 1.201 . . . . 0.0 112.605 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.6 m -142.86 166.01 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 127.37 2.268 . . . . 0.0 106.89 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.81 143.0 16.41 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 123.207 0.432 . . . . 0.0 113.018 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 39.1 m -83.92 -174.17 5.13 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.845 0.858 . . . . 0.0 108.956 178.483 -52.284 -141.915 96.811 104.0 2.044 103.025 -57.69 -72.798 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 t -70.0 116.01 9.87 Favored 'General case' 0 C--N 1.341 0.217 0 O-C-N 121.742 -0.599 . . . . 0.0 111.781 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.37 -34.74 5.23 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.3 m -84.15 133.12 34.63 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.393 1.077 . . . . 0.0 108.968 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.5 t30 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.111 -1.423 . . . . 0.0 108.929 -179.38 . . . . . . . . 0 0 . 1 stop_ save_