data_1uf1_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 1uf1 _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 core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -141.75 116.61 9.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -89.15 111.97 22.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.61 98.54 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -93.14 121.77 34.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 mt -124.17 144.14 50.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.75 116.87 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.342 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.05 -32.65 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.19 32.45 76.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -108.55 125.88 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 m -84.46 85.09 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.7 pt -76.51 153.42 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 168.46 18.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.27 164.97 33.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.86 172.82 41.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.414 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.36 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.056 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.28 -36.29 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -95.85 -31.1 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.45 28.24 7.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.4 tp -120.01 152.23 37.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.19 -176.12 8.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -102.96 96.31 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 6.3 m-85 -107.17 -176.93 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.95 134.57 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 p -140.56 35.42 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.77 135.25 2.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.1 t -135.51 125.16 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.76 141.84 87.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.94 81.88 2.1 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.554 2.17 . . . . 0.0 112.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.45 40.73 0.92 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.534 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -102.39 179.72 4.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.32 -29.83 57.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.94 -32.25 59.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.5 -45.55 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.15 -43.93 98.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.547 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.1 t -60.17 -40.42 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.12 41.02 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -105.52 132.74 51.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.93 177.34 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.4 153.98 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.55 -28.29 13.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.09 149.05 38.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -115.19 111.41 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 38.2 mt -73.41 113.79 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.97 -62.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.64 158.25 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.06 130.32 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 60.78 30.79 19.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.41 28.34 66.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 131.61 53.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.7 m -63.6 113.5 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.408 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 2.5 m-85 -98.72 30.49 3.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -92.41 -31.57 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -126.06 37.35 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.98 137.8 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.58 161.18 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -69.78 -51.97 29.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -65.91 -31.8 72.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.68 -34.28 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.16 63.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.2 t -79.7 -30.98 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -87.31 -41.33 13.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.408 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 51.7 tp -59.76 -31.05 69.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.9 mt -76.25 -34.8 59.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -98.31 36.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 t -133.28 -47.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 t -75.43 146.98 40.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.37 -62.81 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.3 100.84 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 57.9 mt -94.46 109.07 20.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.17 74.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.19 115.29 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.4 m -102.94 89.41 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -102.63 164.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -113.37 157.27 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -103.35 114.52 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.58 140.15 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.93 84.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -70.17 110.53 5.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 mt -118.15 126.79 52.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.6 t -104.29 90.88 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 mt -92.29 -47.78 7.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.19 30.65 12.04 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.559 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.4 mt -110.0 145.35 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 m -105.28 78.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 pt -72.05 166.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.46 163.52 36.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.64 170.74 46.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.48 168.17 34.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.406 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.65 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.92 -61.87 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -62.09 -29.09 70.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.68 27.46 7.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.407 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.6 tp -130.37 147.86 52.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.49 -148.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.6 mm -125.12 123.95 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -129.21 -177.43 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.1 mt -132.21 141.1 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.7 p -153.7 40.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.12 143.18 7.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.444 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.47 118.44 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 0.0 111.02 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.25 143.98 83.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.42 102.87 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.561 2.174 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.63 34.61 7.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.6 p -96.58 168.74 10.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -68.19 -31.62 71.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.9 -35.5 67.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -72.59 -31.1 64.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.89 -43.9 90.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.571 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -49.18 78.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.25 44.23 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.528 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.0 148.87 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.815 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.84 173.73 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -86.97 133.13 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.82 -19.66 23.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.42 149.53 13.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 110.996 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -107.92 110.64 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.5 mt -73.78 112.62 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.69 -61.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -143.54 160.8 39.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.64 126.81 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 60.41 35.88 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.99 28.17 67.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.436 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -132.67 130.7 40.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.27 137.64 58.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -120.58 31.27 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.34 -57.47 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -98.24 35.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 tt -92.76 137.9 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.7 164.33 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -73.49 -31.55 63.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.13 -39.62 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -62.23 -34.52 76.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.13 72.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.7 -51.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -60.48 -34.38 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -78.48 -31.18 47.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -82.5 -33.07 28.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.08 75.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -176.91 -43.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.75 154.45 25.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -76.7 -61.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -90.43 123.29 34.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -122.57 103.79 8.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.0 mt -99.59 89.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.56 158.07 24.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.1 m -130.21 85.11 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.9 m -100.1 148.71 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.05 175.28 5.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.904 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -89.99 147.27 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -128.92 122.77 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.57 90.75 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -81.64 128.05 33.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.4 mt -137.9 128.52 26.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 t -105.42 124.89 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.798 0.333 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -65.59 -48.81 71.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.54 35.38 8.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -111.95 130.15 55.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -91.84 84.71 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 pt -70.09 169.77 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.84 176.92 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.46 -174.76 7.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.04 179.85 38.53 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.59 76.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -47.13 70.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -71.01 -30.09 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.59 33.12 7.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.434 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.5 tp -135.7 155.28 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.42 -166.08 1.07 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.6 mm -117.18 89.15 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -90.16 -174.99 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 37.4 mt -131.99 114.9 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 t -132.57 47.78 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.37 134.45 3.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.41 96.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.82 148.21 92.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 122.12 8.38 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.497 2.132 . . . . 0.0 112.287 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.87 34.18 43.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.0 p -95.53 161.73 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.56 -31.86 71.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.45 75.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -69.46 -31.49 69.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.51 -37.06 53.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -68.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.25 44.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.5 mt -109.46 101.45 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -97.17 -172.66 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.6 m -84.63 147.1 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.24 -29.08 12.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.59 119.41 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -89.31 113.75 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.2 mt -73.33 113.8 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt -83.77 -40.21 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pm0 -161.08 159.09 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.5 t -146.32 128.15 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 60.37 30.92 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.3 27.69 57.22 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.599 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -129.06 136.6 50.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -67.17 117.61 9.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.421 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.6 m-85 -103.72 30.09 5.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.2 mt -102.37 -31.04 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -122.81 33.68 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.5 tt -97.76 154.03 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.66 155.66 40.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -63.45 -55.32 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.71 -41.15 97.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.92 -33.12 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.89 -33.86 62.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.92 -29.52 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -31.7 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.7 tp -76.83 -34.48 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.5 mt -77.07 -31.21 55.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -103.22 42.83 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.0 t -141.63 -50.63 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 t -76.57 140.46 41.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -66.89 -54.35 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.422 ' CD2' HD11 ' A' ' 97' ' ' ILE . 0.8 OUTLIER -83.44 135.41 34.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.4 mt -137.37 122.28 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.422 HD11 ' CD2' ' A' ' 95' ' ' HIS . 3.5 mp -129.92 82.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.48 151.96 37.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.1 m -127.12 88.05 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.9 m -100.33 158.91 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 162.75 14.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.773 0.32 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -126.8 162.46 25.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.53 135.11 42.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.2 90.51 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -76.64 119.21 20.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.8 mt -123.0 137.05 55.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.23 108.96 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -79.52 -35.96 39.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.88 40.79 93.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.526 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -116.36 137.12 52.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 m -94.74 85.92 4.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.8 pt -72.06 151.76 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -133.62 156.19 48.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.8 150.85 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -159.12 171.54 35.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.91 -30.22 70.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -73.07 -30.7 63.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -95.26 18.84 11.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.259 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.06 26.07 18.88 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.781 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 tp -130.1 138.93 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.26 -176.04 2.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 mm -98.41 115.25 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -119.34 -175.71 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.2 mt -127.09 143.23 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 t -157.18 42.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.62 139.84 5.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.31 109.75 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 111.085 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.98 145.44 53.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.72 136.08 22.7 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.516 2.144 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.6 31.08 51.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.7 p -107.33 150.48 26.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.735 0.303 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -32.04 72.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.19 65.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.19 -31.17 65.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.4 -33.42 64.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -71.32 -38.48 71.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.71 39.83 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.84 120.29 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.83 178.81 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.6 m -84.74 149.63 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.95 -26.35 23.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.91 151.91 20.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -118.61 116.97 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.6 mt -72.99 134.09 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.7 mt -104.01 -49.23 3.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -156.68 152.92 27.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.9 128.02 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 60.47 31.23 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.78 27.9 59.98 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.51 134.93 54.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.84 109.98 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -101.47 30.24 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.11 -31.66 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -137.29 74.49 1.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.7 tt -127.16 150.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.7 mt -60.48 156.87 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -66.49 -31.31 71.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -83.93 -42.47 16.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -60.25 -36.88 78.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.04 84.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.8 t -70.76 -53.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.94 -45.19 93.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 tp -64.68 -31.37 72.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.89 -35.34 57.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -107.7 58.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.1 t -148.68 -50.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -76.32 150.04 36.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -73.25 -45.43 55.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.0 112.77 24.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.0 mt -115.57 117.58 30.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mt -119.49 80.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 mp -68.95 141.14 55.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -114.68 92.71 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.24 143.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -100.01 164.73 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -128.33 110.65 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -95.74 140.86 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.12 103.01 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -74.19 148.67 41.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.9 mt -150.67 140.2 21.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.22 107.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.7 mt -87.91 -46.13 9.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.64 44.9 7.58 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.3 mt -119.87 133.46 55.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 m -93.18 72.44 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pt -70.09 150.35 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.79 145.9 36.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.01 155.55 29.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.38 -161.65 31.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.74 -29.7 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 -49.1 74.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -96.75 18.16 15.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.04 26.08 18.81 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.762 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 tp -118.92 151.2 38.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.326 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.29 178.42 8.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.9 mm -95.47 94.73 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 0.0 111.061 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -99.61 -177.34 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.9 mt -129.8 156.08 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -166.7 42.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.47 140.98 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.608 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.7 133.75 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -96.65 140.45 22.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.66 117.49 4.78 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.49 2.127 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.74 -24.76 18.78 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.695 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.2 p -57.72 171.75 0.44 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.809 0.338 . . . . 0.0 110.982 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.57 -38.6 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.78 89.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -41.65 97.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.55 -37.52 78.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -61.44 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.2 45.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.4 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.6 126.5 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -116.09 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -78.97 136.48 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.39 -24.73 25.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.578 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.06 144.47 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -108.62 130.16 55.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.3 mt -89.96 126.49 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.67 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -135.44 165.1 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.409 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.3 t -151.18 122.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 60.15 31.15 20.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.99 28.21 50.72 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -129.17 130.78 46.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.66 118.01 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.409 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 4.2 m-85 -99.64 41.05 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.9 mt -93.57 -31.06 14.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -132.73 39.92 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.0 tt -94.1 146.63 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.84 161.86 6.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -77.68 -35.19 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -80.12 -31.53 39.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -74.31 -34.61 63.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.02 -30.87 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.4 -51.2 13.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -59.85 -41.85 92.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.86 -34.33 73.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.2 mt -77.51 -31.65 53.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.38 75.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -177.12 -45.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -72.65 178.26 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -74.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -72.96 130.82 41.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 77.1 mt -133.58 116.3 15.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mt -122.5 93.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.16 145.66 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -120.74 82.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.5 m -90.17 163.56 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.15 172.89 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -117.75 138.66 51.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -108.69 129.18 55.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 96.76 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -80.85 128.76 34.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.7 mt -124.62 128.68 49.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.18 108.7 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 m . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.1 mt -100.4 -53.24 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.09 28.32 23.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.561 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.2 mt -105.05 140.94 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -104.59 80.36 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 pt -71.78 156.76 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -135.51 155.94 49.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.07 154.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.57 -113.2 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.22 -41.88 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.33 -46.65 89.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -78.11 -31.35 49.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.28 28.51 14.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.3 tp -120.93 148.18 44.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.42 164.21 20.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.437 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.09 92.25 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 111.129 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 83.4 m-85 -101.67 178.07 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 31.2 mt -123.67 148.89 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.031 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -159.11 37.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.3 133.72 2.94 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.85 97.73 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.04 110.27 2.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.36 118.47 5.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.462 2.108 . . . . 0.0 112.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.56 30.86 14.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.8 p -108.78 179.33 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -43.21 63.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.34 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.972 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -37.45 86.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.39 -28.01 71.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.583 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -67.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.52 46.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.435 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 25.2 mt -112.62 109.24 18.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -112.72 175.56 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 m -67.74 138.32 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.41 -25.38 19.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.92 144.26 39.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -111.02 108.43 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 36.9 mt -73.31 114.56 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.5 mt -85.39 -46.94 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 pm0 -159.45 154.8 25.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.35 135.26 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 60.82 29.76 19.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.81 36.79 83.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.77 138.79 45.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -62.81 125.12 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -110.07 29.94 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -87.57 -56.88 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -98.46 32.24 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 tp -89.64 136.65 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.2 165.46 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.14 -49.88 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -63.8 -31.37 72.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -74.86 -31.14 61.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.06 -34.23 66.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.2 t -79.41 -31.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -31.52 27.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -77.6 -34.77 53.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.7 mt -78.34 -31.97 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -104.24 59.68 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.1 t -154.32 -61.01 0.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -67.28 155.34 39.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -32.01 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -104.29 99.91 9.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.9 mt -108.43 109.88 21.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.7 mt -107.68 72.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.037 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.39 147.17 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.9 m -123.51 87.1 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.1 m -104.39 157.37 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -106.06 156.54 18.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 p30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.961 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.834 0.349 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -97.32 122.88 40.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 136.72 44.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -128.1 89.32 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 p-10 -79.1 99.95 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.1 mt -108.71 127.63 54.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.92 126.59 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.2 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.733 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.89 -36.08 80.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.14 53.19 7.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -133.33 158.47 42.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.1 m -114.26 89.26 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 pt -70.01 166.59 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -138.06 177.64 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.35 -161.63 25.7 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.76 -173.07 27.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.71 -35.25 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.073 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.22 -31.7 70.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -99.98 -31.17 11.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.76 32.44 6.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.6 tp -125.04 155.47 39.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.33 177.72 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.8 mm -104.74 92.41 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -96.39 -178.56 4.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.5 mt -127.07 126.36 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.6 p -138.83 39.86 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.82 135.8 4.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.19 115.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -91.61 139.07 24.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.68 116.39 4.45 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.531 2.154 . . . . 0.0 112.317 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.92 33.38 5.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.584 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 p -115.85 169.16 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.71 -37.04 83.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.42 69.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.94 -31.47 71.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.83 -29.51 34.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -68.96 -49.79 54.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.63 44.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mt -105.81 125.06 50.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.52 173.61 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 m -78.2 137.87 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.01 -28.3 8.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.419 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.31 151.82 35.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -113.19 118.94 36.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.4 mt -73.54 113.06 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.6 mt -78.95 -56.29 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -154.05 162.06 41.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.5 t -137.17 122.2 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.17 33.63 21.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.42 27.65 61.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.404 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.14 124.39 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.83 119.62 11.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -98.6 33.69 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.3 mt -82.82 -54.05 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -104.43 43.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.1 tt -97.31 146.75 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.08 149.26 41.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.26 -45.93 91.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.06 -38.77 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -63.51 -43.43 97.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.35 80.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.2 t -67.45 -45.32 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -68.9 -47.62 65.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.0 tp -59.81 -31.56 69.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.3 mt -85.42 -30.67 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.26 69.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -177.0 -44.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.52 165.79 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -83.05 -75.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.62 128.59 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.84 102.57 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.5 mt -100.89 85.46 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.27 146.41 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.0 m -122.65 85.5 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.26 143.1 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.19 159.96 14.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -113.58 142.2 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -115.36 139.84 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.64 108.6 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -87.31 122.66 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.7 mt -120.34 106.8 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.46 116.59 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mt -112.97 -50.74 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.44 49.61 2.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mt -134.23 131.81 38.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -96.42 89.0 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -72.19 168.46 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -141.12 169.2 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.41 166.03 4.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.535 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.53 -168.19 38.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.69 -36.6 57.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.89 -51.95 67.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -76.27 -29.63 57.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.89 29.58 9.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.2 tp -122.32 159.1 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.04 -149.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mm -129.99 92.93 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.745 0.307 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 69' ' ' GLN . 97.2 m-85 -91.19 -176.81 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.0 mt -132.35 119.4 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -133.4 46.57 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.71 143.17 7.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.596 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.41 121.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.57 145.68 75.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.25 110.03 2.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.519 2.146 . . . . 0.0 112.371 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.52 34.92 34.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.3 p -94.12 173.92 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.18 -38.11 89.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.51 -31.58 62.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -69.16 -33.21 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.81 -44.42 38.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t -60.62 -39.76 89.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.67 40.46 0.46 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.33 109.05 20.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -112.77 176.14 5.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.63 152.15 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.95 26.76 21.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.604 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.42 153.44 26.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.408 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 5.8 tm0? -120.43 111.78 18.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.6 mt -75.0 135.08 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -101.85 -51.24 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 pm0 -152.61 156.89 40.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -138.81 123.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 60.8 30.61 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.53 28.4 55.37 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.6 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -123.28 135.21 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.49 115.19 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -104.06 30.87 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 mt -92.18 -43.21 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -116.66 36.01 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 tt -91.86 148.98 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.67 151.74 37.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -66.18 -41.12 90.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.27 -37.46 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.8 -37.32 87.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.37 -31.25 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.042 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.5 t -83.46 -38.11 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.049 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -73.58 -40.67 63.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.3 tp -69.4 -38.15 77.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.8 mt -72.15 -32.7 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -106.83 71.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 t -176.01 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.92 158.23 28.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.34 -62.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.32 125.05 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.7 mt -133.04 112.14 11.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.0 mt -113.02 86.5 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 mp -80.3 134.72 36.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.2 m -111.89 91.29 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.5 m -101.23 169.33 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -118.91 157.4 27.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.821 0.343 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -103.9 133.77 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.94 150.87 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.96 97.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -75.67 112.45 12.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.3 mt -118.06 117.75 30.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.25 127.03 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mt -96.36 -51.47 4.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.64 30.08 7.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.464 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.0 mt -104.15 124.37 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -93.98 78.42 4.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.7 pt -69.96 164.12 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -137.07 176.28 8.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.65 170.13 0.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.601 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.55 -168.56 38.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.41 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.28 -55.37 8.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 111.083 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.08 -37.96 81.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -71.38 -30.08 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.15 30.27 14.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.401 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.2 tp -138.82 151.68 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.817 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.57 -178.09 4.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.545 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -101.87 95.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -101.42 -175.01 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mt -127.2 144.02 38.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.5 t -159.02 47.63 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.54 138.67 2.87 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.568 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.83 105.53 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.073 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.9 110.74 3.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.43 122.99 11.15 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.458 2.105 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.92 32.26 30.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.8 p -104.8 -174.99 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -78.1 -31.51 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.62 -33.13 58.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.71 -34.47 60.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.15 -28.41 73.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.55 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.87 -65.63 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.03 55.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.64 121.47 45.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.68 -178.52 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -95.79 129.02 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.13 -27.64 5.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.41 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.57 158.63 9.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -116.16 121.11 41.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.411 HD13 HG22 ' A' ' 70' ' ' ILE . 30.4 mt -76.79 103.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.99 -52.96 29.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.15 159.53 34.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.19 131.56 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 60.27 31.12 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.28 28.22 72.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -117.62 140.12 50.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -66.57 128.88 37.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.71 30.86 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.5 mt -93.2 -52.82 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -104.99 31.45 4.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 tt -90.18 148.51 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.61 150.06 47.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.51 -41.59 98.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.42 -41.58 80.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -65.47 -33.3 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.98 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.7 t -77.66 -36.46 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -40.89 27.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.13 -40.19 88.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 mt -72.05 -31.39 66.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -108.59 77.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.5 t -176.81 -45.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.58 165.57 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.7 mmt-85 -90.33 -65.95 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -79.95 103.37 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.1 mt -107.76 106.38 16.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.2 86.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.17 147.04 36.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.1 m -125.62 88.13 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.53 148.73 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.76 168.23 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -129.06 121.09 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -93.85 143.62 26.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.23 84.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -69.99 128.54 36.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.8 mt -126.9 135.48 51.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.68 111.31 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.4 mt -82.38 -50.72 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.97 50.45 2.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mt -131.67 130.53 42.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -90.32 84.07 6.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.6 pt -70.58 161.82 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -144.82 169.42 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.62 168.14 15.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.74 169.48 38.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.88 84.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.83 -39.31 93.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -90.54 10.31 25.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.333 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.09 45.02 83.52 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.667 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 tp -143.74 161.37 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.18 -158.6 9.52 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mm -118.75 88.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -85.56 -175.03 5.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 50' ' ' ILE . 32.1 mt -144.05 104.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 t -119.23 46.74 1.82 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.13 140.83 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.94 108.62 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.9 135.69 96.18 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.66 94.4 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.456 2.104 . . . . 0.0 112.382 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.12 48.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.65 -174.38 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.16 -34.37 61.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.21 -41.52 70.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.96 -31.42 72.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -83.43 -34.44 19.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.574 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.8 p -61.61 -70.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.08 43.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.578 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -106.17 150.26 26.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.806 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 -177.97 5.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.1 m -87.4 136.62 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.73 23.72 20.05 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.74 152.26 19.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.759 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -114.35 102.47 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.95 131.28 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -96.1 -64.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.48 160.13 42.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.415 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.0 t -142.94 124.29 11.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 60.9 30.8 19.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.42 29.56 57.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.14 140.15 53.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.5 t -70.74 117.71 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 4.0 m-85 -107.27 35.19 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.6 mt -108.94 -44.95 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -110.63 36.34 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.1 tt -103.72 153.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.53 149.57 38.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -65.84 -45.77 80.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.61 -35.33 80.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -65.47 -40.14 92.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.41 69.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.29 -42.88 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -50.73 53.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 tp -60.15 -31.36 70.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.1 mt -81.0 -32.16 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.11 70.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 t -171.51 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m -80.59 176.75 9.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -96.0 -64.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.51 131.88 34.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.6 mt -135.91 118.94 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.49 80.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.7 mp -76.23 130.76 38.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -109.25 99.56 8.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.6 m -108.33 139.95 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -98.78 166.44 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -115.23 123.32 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.95 120.3 41.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.58 112.11 38.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -93.93 134.75 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.1 mt -135.58 135.4 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG23 ' CE1' ' A' ' 95' ' ' HIS . 21.5 t -108.69 96.37 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.817 0.342 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -62.36 -31.76 72.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.8 35.46 92.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.3 mt -104.15 155.65 18.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 m -113.58 77.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.0 pt -74.38 166.14 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -143.62 177.07 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.41 164.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -169.13 -174.6 37.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.15 -22.01 62.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 111.37 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.95 27.92 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.133 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -147.34 20.26 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.234 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.9 26.81 8.84 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.778 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.0 tp -135.28 160.69 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.25 -163.04 37.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -105.72 116.76 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.365 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -116.58 -177.33 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 mt -132.78 146.64 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -161.67 39.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.6 135.94 2.56 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.74 127.51 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 111.02 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 149.35 75.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.59 92.93 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.574 2.183 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.81 38.98 12.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 p -89.94 177.98 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.813 0.339 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.03 -34.19 74.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.99 60.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.62 -31.91 72.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.8 -43.06 60.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.538 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -57.06 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.334 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.87 49.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.433 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -104.79 147.44 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.01 -175.16 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 m -91.36 137.95 20.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.71 -28.63 9.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 143.52 47.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.27 111.31 23.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.4 mt -69.71 112.92 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.8 mt -73.53 -65.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.52 161.0 38.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.406 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.3 t -142.56 128.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 60.56 35.76 20.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.3 27.99 72.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.57 126.91 44.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 110.81 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.24 116.93 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.406 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.8 m-85 -98.7 30.28 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -93.0 -31.08 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -126.85 55.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 tp -116.67 137.23 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.49 149.92 28.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -63.33 -38.87 92.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -72.74 -34.49 67.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.17 -38.44 60.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.48 93.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.3 t -72.88 -49.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -46.57 89.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.74 -45.06 91.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.8 mt -59.98 -31.62 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -106.84 46.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.51 -59.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -65.8 166.04 11.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -91.25 -57.7 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.412 ' CE1' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -88.3 100.51 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.3 mt -99.97 119.6 38.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.3 mt -115.96 82.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.77 143.25 46.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -122.73 80.03 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.7 m -87.56 169.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 151.17 46.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.917 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -90.65 158.77 16.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -135.33 144.46 46.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.18 90.91 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -79.03 132.87 36.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.5 mt -136.75 142.68 43.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.82 90.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.42 -47.62 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.98 33.28 5.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.392 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 mt -117.65 124.71 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.899 0.381 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -87.01 96.88 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 pt -89.54 161.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -142.73 165.28 27.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.27 154.6 6.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.71 -177.63 47.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.63 -30.22 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.72 0.295 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -32.64 45.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -93.46 13.42 21.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.231 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.9 26.63 26.98 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.717 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.3 tp -136.31 153.17 51.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.53 -170.51 7.53 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.9 mm -101.11 106.63 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.707 0.289 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -110.71 -175.8 2.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mt -125.66 152.34 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 t -167.38 38.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.87 146.45 9.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.72 108.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.8 142.3 94.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.33 109.5 2.93 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.516 2.144 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.05 38.15 9.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.538 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -104.68 175.27 5.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.766 0.317 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -69.85 -31.56 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.09 -49.3 24.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.21 -37.27 79.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.46 72.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -69.18 -55.78 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.32 54.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.5 mt -117.91 125.74 51.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -98.47 -176.94 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.4 m -99.55 120.97 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.05 -25.26 4.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.08 166.2 1.64 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -121.74 116.53 24.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.7 mt -76.15 109.29 9.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.45 -62.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.06 164.07 31.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.405 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.5 t -144.84 128.69 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 60.36 30.2 19.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.72 28.16 55.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -129.81 131.48 46.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.9 m -68.55 116.49 9.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.405 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 3.8 m-85 -97.62 39.12 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 mt -102.71 -31.3 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -121.86 36.56 4.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.8 tt -102.59 156.77 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mp -78.24 151.88 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -60.35 -47.4 86.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.68 -51.91 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -60.4 -31.64 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.81 -46.42 78.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.2 -42.11 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -67.07 -48.32 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.5 -37.77 82.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.1 mt -71.95 -31.09 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.38 38.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -136.45 -63.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.92 141.89 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -60.79 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -80.38 100.07 8.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.1 mt -97.36 123.13 41.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.4 mt -125.73 75.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.62 143.49 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.5 m -120.82 98.69 6.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.1 m -107.79 162.03 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -124.47 172.37 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.935 0.398 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -123.14 122.57 38.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 145.0 25.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.59 97.02 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -88.47 124.95 34.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.8 mt -129.41 130.53 46.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.03 116.3 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.868 0.366 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.3 mt -84.04 -41.53 17.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.97 37.46 33.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.6 mt -120.4 128.75 53.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.835 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -93.35 82.62 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.8 pt -72.09 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.31 167.51 25.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.63 160.46 2.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.78 -173.91 46.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.38 -30.61 68.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.044 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.33 -27.52 61.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -103.81 11.68 35.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.389 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.73 33.57 42.48 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.719 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.0 tp -137.13 153.76 50.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.65 -159.23 0.25 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -117.78 108.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 58.9 m-85 -109.54 -175.31 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.4 mt -127.47 141.15 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 t -152.04 43.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.11 154.08 17.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.597 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -151.37 127.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.93 111.18 48.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 91.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.47 2.113 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.64 42.28 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -122.42 172.43 8.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.57 -31.61 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.58 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.16 -31.34 64.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.93 -34.04 22.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -60.36 -60.89 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.57 54.33 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.0 mt -124.11 139.61 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -132.31 -178.18 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.2 m -78.98 117.16 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.35 -26.61 3.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.67 148.06 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.413 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.2 tm0? -116.35 117.19 29.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.06 123.9 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.6 mt -89.23 -42.99 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.78 154.67 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.9 t -138.44 129.53 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 60.76 30.92 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.33 28.45 67.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -120.77 138.29 54.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 129.5 40.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -116.71 33.36 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -100.13 -36.31 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -114.67 31.29 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 tt -95.0 133.91 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.16 161.11 9.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -72.37 -31.48 65.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.53 -44.88 33.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.6 -37.41 84.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.08 80.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.7 t -65.95 -31.51 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -37.17 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp -65.65 -53.99 33.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -59.84 -34.2 72.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -101.85 57.38 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 t -152.36 -64.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t -61.84 149.71 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -31.38 53.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -109.75 125.22 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.8 mt -128.75 124.2 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.06 72.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.89 147.46 50.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -123.37 80.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.9 m -94.8 154.27 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -100.81 170.11 8.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -98.84 118.0 34.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -93.72 145.98 24.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.84 83.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -75.21 128.24 35.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 mt -131.27 141.54 50.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.92 113.62 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -94.63 -44.91 7.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.74 41.38 6.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.8 mt -118.26 133.34 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -93.65 78.6 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.74 155.12 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.067 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.64 153.18 42.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.45 152.3 20.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.25 -168.81 41.48 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.64 -30.61 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.081 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.01 -33.84 76.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -109.8 20.07 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.88 25.27 15.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.676 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 tp -121.29 161.44 21.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.95 -146.77 0.4 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -127.15 107.59 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.894 0.378 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 65.7 m-85 -114.98 176.34 5.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 31.6 mt -120.62 138.82 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.8 t -143.77 38.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.24 138.8 3.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.07 114.47 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.02 135.8 95.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.75 117.97 4.92 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.469 2.113 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.87 42.59 16.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 p -114.25 175.79 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -67.6 -39.41 84.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.05 -31.34 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -31.19 68.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.04 -39.08 92.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -41.56 99.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.1 36.76 0.85 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.7 mt -86.72 128.06 35.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -115.48 174.47 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.13 135.86 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.6 -24.92 8.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.22 152.36 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 111.074 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.421 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.1 tm0? -116.93 113.4 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.7 mt -73.06 103.22 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.3 mt -73.66 -40.75 63.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.62 163.35 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.36 124.09 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 60.35 31.14 20.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.81 32.53 49.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -126.47 132.18 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -67.64 117.74 9.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -102.59 43.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.53 -49.91 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.63 32.17 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.9 tt -87.96 153.01 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.8 mt -75.12 149.77 38.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -62.94 -36.0 81.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -73.93 -35.16 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -68.94 -33.28 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.88 -45.86 84.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.9 t -71.84 -40.38 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -31.45 67.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.1 tp -80.77 -33.53 34.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 mt -75.92 -32.72 59.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -109.17 70.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.5 t -171.59 -51.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m -72.4 140.36 48.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -72.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -79.63 123.96 28.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.2 mt -123.13 126.7 47.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.83 96.73 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.71 164.24 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.5 m -138.47 82.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.56 163.45 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -116.95 154.92 30.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.885 0.374 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -145.57 110.54 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -89.47 130.31 35.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.57 95.75 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -81.87 141.71 33.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 mt -130.18 119.46 22.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 t -91.54 100.03 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.1 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.7 mt -87.69 -33.14 18.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.83 32.53 82.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.4 mt -107.22 152.06 24.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 m -107.77 105.15 14.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.8 pt -88.32 173.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.13 172.61 13.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.99 166.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -164.98 -171.18 30.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.563 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.28 -50.14 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -57.48 -33.3 67.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -84.74 -25.68 28.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.18 27.47 25.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.323 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.0 tp -122.27 153.65 38.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.65 -166.31 4.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mm -115.38 81.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 69' ' ' GLN . 47.7 m-85 -84.43 -174.93 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.6 mt -138.59 128.33 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 t -137.19 31.69 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.79 141.52 7.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.634 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.47 116.71 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.06 145.61 84.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.17 1.53 9.09 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.644 2.229 . . . . 0.0 112.848 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.57 41.06 0.8 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 p -107.04 -178.01 3.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -83.58 -30.4 27.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.42 80.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -40.3 96.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.46 -28.43 59.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.573 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.13 -59.34 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.98 49.9 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mt -120.6 138.68 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 -177.63 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.6 m -77.69 157.85 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.34 -28.26 13.86 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.542 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.19 141.53 58.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.415 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.3 tt0 -110.84 116.62 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.67 114.05 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.55 -44.15 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -160.69 158.69 29.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.413 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 21.5 t -145.16 129.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 60.5 30.46 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.3 28.23 64.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.0 140.01 53.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.309 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 t -72.5 115.73 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.413 ' CZ ' ' HB ' ' A' ' 73' ' ' VAL . 4.0 m-85 -100.29 38.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 68.9 mt -106.28 -33.8 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -118.43 34.08 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.5 tt -103.66 143.12 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.47 163.59 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -71.03 -49.04 49.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -64.96 -38.01 89.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -62.62 -42.63 99.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.36 -33.56 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.95 -40.38 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -39.14 68.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.4 tp -71.27 -31.42 67.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -79.55 -34.87 40.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.26 72.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.67 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.86 155.67 37.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -66.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.72 142.3 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.2 mt -137.17 110.53 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.9 mp -111.32 92.94 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.38 150.05 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.8 m -127.54 79.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.3 m -90.58 152.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.58 158.95 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -95.57 110.43 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 134.94 42.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.35 99.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.44 114.8 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.62 109.14 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.86 103.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mt -93.93 -57.93 2.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.94 30.58 6.66 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.7 mt -106.52 155.91 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -117.55 84.82 2.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 pt -83.12 144.37 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.196 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.16 146.26 46.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.23 145.03 7.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.49 -154.21 15.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.426 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.95 -31.15 70.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.58 -31.67 72.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -110.76 16.53 21.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.321 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.87 25.42 15.99 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.716 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 tp -124.89 157.37 36.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.39 173.69 19.62 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 mm -90.05 122.31 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -126.81 -176.35 3.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.1 mt -130.21 149.32 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 p -157.75 35.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.39 150.8 10.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.629 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.98 135.52 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.18 148.52 98.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.84 62.31 3.1 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.597 2.198 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.65 98.65 2.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.69 -171.27 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.56 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.46 -49.47 14.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.26 -36.65 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.6 -30.01 60.69 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -68.11 -68.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.84 59.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mt -108.32 171.73 7.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.14 177.86 7.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.5 m -98.78 31.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.76 28.62 0.6 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.439 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -96.41 162.54 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -122.24 122.8 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.9 mt -80.83 115.65 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.8 mt -84.41 -38.08 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.12 162.16 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.97 118.87 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 60.59 31.15 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.56 28.72 46.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.11 140.56 50.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.54 111.46 12.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -103.93 32.94 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.1 -31.63 27.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -139.61 41.95 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.2 tt -88.39 142.75 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.18 152.99 31.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -60.03 -52.2 66.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.68 -49.99 75.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.2 -31.03 70.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.93 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.071 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 t -68.02 -45.67 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.82 -48.98 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.79 -33.66 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.2 mt -77.06 -35.16 56.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -106.2 70.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -171.33 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -79.13 148.6 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -71.46 -61.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -76.43 131.85 39.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.2 mt -135.03 108.19 7.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.2 82.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.62 147.44 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 m -121.22 91.52 3.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.33 158.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -121.7 165.24 16.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.741 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -107.64 114.77 28.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.35 122.49 42.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -112.34 90.82 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -77.49 120.4 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -117.11 117.25 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.05 93.44 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.029 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.6 mt -91.74 -41.84 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.6 43.35 29.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.7 mt -117.7 133.64 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 m -94.34 78.66 3.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.2 pt -77.06 159.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -138.68 166.97 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.8 158.58 25.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.553 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.08 -177.71 47.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.28 -32.28 70.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -46.11 75.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -85.93 4.23 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.376 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.25 44.85 94.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.563 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.5 tp -139.24 155.77 47.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.86 -163.0 4.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.9 mm -114.07 105.95 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -112.07 179.17 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mt -127.32 132.42 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -143.26 41.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.71 149.39 11.94 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.27 96.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.35 111.15 4.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.05 108.13 0.26 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.45 2.1 . . . . 0.0 112.299 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.7 30.11 4.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.2 p -107.59 165.23 11.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.14 -32.0 70.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.37 -35.74 54.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.72 -34.91 76.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.87 57.11 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 t -62.62 -44.77 95.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.87 35.73 0.88 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.1 mt -90.04 127.63 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.5 175.35 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.6 m -86.0 172.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.06 14.66 80.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.736 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.6 173.38 7.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.79 111.52 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.9 mt -74.75 106.56 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.4 mt -73.93 -65.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -144.42 153.86 42.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.42 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.4 t -131.62 127.28 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 60.33 31.23 20.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.82 30.13 64.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -127.65 141.42 51.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 m -63.17 128.39 35.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.42 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -122.3 30.44 6.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.5 mt -95.08 -55.98 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -98.3 38.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.989 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.3 tt -96.77 150.77 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.66 154.85 41.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.35 -36.4 82.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -73.96 -34.93 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.73 -34.07 69.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.8 -31.75 72.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.63 -43.32 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -68.6 -31.25 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 25.5 tp -80.08 -31.37 39.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.9 mt -81.65 -33.62 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.37 68.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.03 -62.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 m -69.91 132.16 45.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -74.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -69.96 124.24 23.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 65.5 mt -127.32 114.58 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.0 mt -110.32 91.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 mp -83.61 155.52 23.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.66 95.32 3.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.44 143.72 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -106.63 164.1 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.338 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -112.37 122.4 47.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.41 148.04 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.7 88.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -80.67 143.8 32.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.8 mt -146.28 132.64 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.44 92.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.775 0.321 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.9 mt -86.34 -35.54 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.72 33.01 58.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -106.3 149.97 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -113.53 84.62 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 pt -84.67 163.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.69 179.36 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.61 174.68 12.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.12 179.55 48.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.393 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.73 66.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 111.075 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -34.23 73.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -97.18 13.58 28.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.293 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 53.56 31.57 44.67 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.709 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.0 tp -124.2 134.74 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.63 -166.83 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mm -109.1 101.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.411 ' CD2' ' HG2' ' A' ' 69' ' ' GLN . 83.7 m-85 -101.35 -174.99 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.435 HG22 HD13 ' A' ' 50' ' ' ILE . 32.0 mt -134.41 135.4 54.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 p -147.47 36.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.99 137.77 3.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.582 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.13 119.7 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.41 137.05 55.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.67 113.4 3.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.552 2.168 . . . . 0.0 112.364 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.15 -27.47 8.55 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -58.92 170.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.0 -44.37 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.41 70.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -32.75 63.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.59 -28.43 43.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.581 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.66 -55.5 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.59 56.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mt -107.32 171.79 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.82 -179.71 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.9 m -98.62 102.11 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.82 -20.51 2.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.619 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -55.81 151.45 11.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.871 0.367 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.411 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 14.0 tm0? -112.85 107.01 15.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.72 109.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.9 mt -74.22 -48.96 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.28 161.73 37.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.422 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.9 t -140.96 127.12 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 60.39 31.25 20.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.67 28.25 63.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 ttt-85 -125.08 137.32 54.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.325 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.73 123.66 19.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.422 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.3 m-85 -110.89 31.01 6.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 mt -100.35 -41.57 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -111.89 32.97 5.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 tt -94.4 145.46 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.99 154.8 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -64.1 -54.22 37.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -64.28 -34.41 78.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.15 -34.93 79.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.16 83.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.22 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -35.01 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.785 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.3 tp -76.09 -41.8 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.31 -31.87 62.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -108.31 73.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.5 t -175.94 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.6 152.31 42.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -32.9 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.05 124.1 49.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.6 mt -130.69 118.03 20.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.13 72.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.07 132.03 47.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 m -113.29 92.28 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.3 m -91.92 163.97 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.34 154.11 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -95.72 132.38 40.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -112.99 137.54 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 t -127.75 92.06 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -80.75 127.12 32.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.8 mt -129.98 130.48 45.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.55 106.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.823 0.344 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.1 mt -89.65 -62.41 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.53 40.6 2.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mt -124.65 148.0 48.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 m -104.25 90.89 3.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.0 pt -84.46 137.11 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 ptt85 -121.35 158.96 27.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.58 148.27 8.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -164.75 -175.56 35.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.65 -30.4 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.078 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -32.74 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -95.07 16.41 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.253 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.01 26.33 19.12 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.745 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.8 tp -130.5 146.94 52.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.11 -179.29 21.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.2 mm -91.51 117.67 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -115.12 -177.58 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.0 mt -130.97 140.35 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.5 t -163.09 43.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.4 146.74 11.99 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -148.94 115.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.74 0.305 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.41 129.37 92.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.55 103.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.417 2.078 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.65 70.58 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 p -130.22 179.5 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.17 -51.6 65.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.14 69.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -70.2 -36.2 74.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.37 -39.85 21.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -69.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.91 61.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.4 mt -123.21 122.39 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.63 -174.91 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.5 m -95.16 136.88 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.1 -27.86 9.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -60.26 156.32 15.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.306 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -117.29 122.86 45.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.416 HD12 HG23 ' A' ' 70' ' ' ILE . 32.3 mt -77.95 133.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.88 -48.4 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -160.88 159.59 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.82 126.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 60.38 31.28 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.76 27.39 67.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.07 146.16 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -74.64 118.0 17.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -109.15 29.78 7.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.0 mt -94.14 -51.61 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.769 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -107.84 31.53 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 tt -84.71 147.54 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -74.07 155.33 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -62.9 -42.93 99.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.18 -40.15 74.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -63.28 -45.88 89.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.0 72.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 t -77.09 -46.94 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -66.44 -44.57 82.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.64 -32.79 74.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 mt -81.31 -21.17 39.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.93 57.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -158.74 -57.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -59.05 173.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.16 -35.5 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -108.76 116.79 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.851 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.9 mt -122.92 103.32 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.3 mt -107.77 77.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mp -66.96 144.26 56.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 m -120.05 91.67 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 31.3 m -104.43 159.64 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -107.38 141.73 38.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -102.11 149.42 24.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 142.33 50.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.54 105.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -88.45 138.3 31.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.2 mt -131.89 129.9 40.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.7 t -102.41 109.02 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.342 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.09 -35.79 28.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.94 49.73 45.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -118.09 124.38 47.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.7 m -81.95 92.12 6.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.6 pt -92.71 152.01 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -141.24 141.56 33.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.44 147.43 22.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.68 -168.66 38.26 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.03 -39.32 90.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -63.34 -38.66 92.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -93.94 4.2 54.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.59 43.82 94.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.604 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.3 tp -145.77 157.32 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.37 -178.27 24.09 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.543 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.36 118.73 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.413 ' CD1' ' HG2' ' A' ' 69' ' ' GLN . 70.2 m-85 -125.88 -175.02 3.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.5 mt -135.08 140.09 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.7 p -144.5 29.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.04 151.3 10.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.593 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.52 121.06 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.02 110.16 2.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.71 99.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.433 2.089 . . . . 0.0 112.286 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.69 30.23 4.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.531 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.7 p -100.81 178.16 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.17 -31.83 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.66 -42.36 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.193 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -66.66 -35.47 80.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.19 -30.29 71.84 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.563 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.4 t -67.64 -57.59 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.96 49.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mt -105.0 170.3 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 178.47 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.96 144.39 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.31 -23.13 32.67 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.543 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.58 156.46 8.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.413 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 20.1 tm0? -122.07 116.44 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 36.1 mt -73.44 120.91 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.6 mt -89.46 -65.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 pm0 -140.26 153.99 46.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.98 125.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 60.57 30.7 19.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.59 27.98 56.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.84 128.82 50.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.3 m -67.64 110.31 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.407 ' CD2' HG22 ' A' ' 81' ' ' ILE . 3.5 m-85 -95.43 67.7 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 mt -120.42 -42.03 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -115.93 37.82 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.407 HG22 ' CD2' ' A' ' 78' ' ' PHE . 2.3 tt -96.54 143.17 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.053 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.59 159.37 18.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -65.56 -45.58 82.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.23 -38.89 78.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -60.21 -38.26 82.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.68 81.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.062 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.91 -42.35 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -69.05 -44.22 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.7 tp -65.0 -37.77 88.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.7 mt -73.91 -33.64 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.37 67.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -160.78 -46.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -84.87 -175.24 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.29 -74.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -70.91 108.83 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.32 107.65 15.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.9 83.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.86 140.77 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -120.61 96.26 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.87 171.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -137.43 167.83 20.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -141.18 -59.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.94 32.0 5.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.88 68.53 1.47 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -114.73 -177.35 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 p -140.9 -47.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.65 31.26 7.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.65 -42.29 12.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.96 -46.29 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -174.18 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.6 p -163.24 -45.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.68 114.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mp 60.29 158.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 158.74 16.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 tp -160.64 140.5 11.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mp -93.54 139.66 30.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -128.22 91.52 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.54 85.05 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.14 175.08 26.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.564 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.26 31.42 4.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.33 149.02 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -141.75 116.61 9.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -89.15 111.97 22.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.61 98.54 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -93.14 121.77 34.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 mt -124.17 144.14 50.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.75 116.87 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.8 mt -96.65 163.35 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.19 -109.13 2.82 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.88 94.42 4.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.65 25.07 12.31 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -178.48 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 m -172.88 174.21 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.05 -32.65 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.19 32.45 76.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -108.55 125.88 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 m -84.46 85.09 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.7 pt -76.51 153.42 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 168.46 18.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.27 164.97 33.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.86 172.82 41.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.414 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.36 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.056 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.28 -36.29 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -95.85 -31.1 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.45 28.24 7.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.4 tp -120.01 152.23 37.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.19 -176.12 8.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -102.96 96.31 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 49' ' ' TYR . 6.3 m-85 -107.17 -176.93 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 mp -128.95 134.57 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 p -140.56 35.42 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.77 135.25 2.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.1 t -135.51 125.16 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.76 141.84 87.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.94 81.88 2.1 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.554 2.17 . . . . 0.0 112.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.45 40.73 0.92 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.534 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -102.39 179.72 4.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.32 -29.83 57.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.94 -32.25 59.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.5 -45.55 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.15 -43.93 98.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.547 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.1 t -60.17 -40.42 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.12 41.02 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -105.52 132.74 51.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.93 177.34 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.4 153.98 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.55 -28.29 13.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.09 149.05 38.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -115.19 111.41 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 38.2 mt -73.41 113.79 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.97 -62.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.64 158.25 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.06 130.32 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 60.78 30.79 19.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.41 28.34 66.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 131.61 53.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.7 m -63.6 113.5 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.408 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 2.5 m-85 -98.72 30.49 3.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -92.41 -31.57 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -126.06 37.35 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.98 137.8 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.58 161.18 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -69.78 -51.97 29.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -65.91 -31.8 72.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.68 -34.28 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.16 63.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.2 t -79.7 -30.98 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -87.31 -41.33 13.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.408 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 51.7 tp -59.76 -31.05 69.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.9 mt -76.25 -34.8 59.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -98.31 36.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 t -133.28 -47.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 t -75.43 146.98 40.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.37 -62.81 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.3 100.84 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 57.9 mt -94.46 109.07 20.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.17 74.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.19 115.29 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.4 m -102.94 89.41 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -102.63 164.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -113.37 157.27 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.59 90.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.95 82.63 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.4 80.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.542 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -129.57 -58.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.68 142.66 25.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.84 -51.52 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.502 2.135 . . . . 0.0 112.381 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.423 ' N ' ' CD2' ' A' ' 108' ' ' HIS . 0.3 OUTLIER 177.8 111.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -133.01 179.33 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.11 -46.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.1 p -130.05 75.12 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.7 m -116.43 28.22 8.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 3.4 m -160.72 110.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.024 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.56 98.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.77 -42.68 73.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.4 p -79.12 -28.58 42.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.9 tttt 63.43 71.27 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 49.6 m95 59.21 107.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.6 pt -78.56 176.02 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -136.84 122.86 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.0 m -114.46 171.97 7.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.34 90.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.2 m -141.24 168.64 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.23 -70.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.19 141.71 47.96 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.591 2.194 . . . . 0.0 112.334 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.5 m -154.49 31.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 m -109.26 -50.09 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.552 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -99.45 79.96 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -99.42 79.54 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.74 75.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 132.34 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.807 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -108.06 31.3 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.26 77.28 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.47 79.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -105.66 -40.88 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -147.12 83.22 1.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -124.74 -66.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.34 87.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mp -129.57 31.71 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -103.76 121.1 42.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.49 153.44 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 tp -109.16 -29.54 8.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 62.33 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.4 128.17 0.61 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.439 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.83 -167.38 12.26 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -108.53 115.96 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -118.05 138.28 52.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -103.35 114.52 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.58 140.15 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.93 84.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -70.17 110.53 5.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 mt -118.15 126.79 52.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.6 t -104.29 90.88 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.44 -178.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.86 72.11 0.47 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 62.02 31.03 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.92 59.81 0.45 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.533 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -92.12 -4.09 54.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.654 0.264 . . . . 0.0 111.429 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m 61.09 155.9 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 mt -92.29 -47.78 7.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.19 30.65 12.04 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.559 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.4 mt -110.0 145.35 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 m -105.28 78.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 pt -72.05 166.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.46 163.52 36.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.64 170.74 46.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.48 168.17 34.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.406 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.65 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.92 -61.87 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -62.09 -29.09 70.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.68 27.46 7.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.407 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.6 tp -130.37 147.86 52.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.49 -148.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.6 mm -125.12 123.95 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -129.21 -177.43 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.1 mt -132.21 141.1 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.7 p -153.7 40.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.12 143.18 7.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.444 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.47 118.44 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 0.0 111.02 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.25 143.98 83.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.42 102.87 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.561 2.174 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.63 34.61 7.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.6 p -96.58 168.74 10.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -68.19 -31.62 71.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.9 -35.5 67.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -72.59 -31.1 64.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.89 -43.9 90.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.571 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -49.18 78.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.25 44.23 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.528 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.0 148.87 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.815 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.84 173.73 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -86.97 133.13 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.82 -19.66 23.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.42 149.53 13.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 110.996 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -107.92 110.64 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.5 mt -73.78 112.62 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.69 -61.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -143.54 160.8 39.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.64 126.81 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 60.41 35.88 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.99 28.17 67.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.436 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -132.67 130.7 40.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.27 137.64 58.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -120.58 31.27 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.34 -57.47 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -98.24 35.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 tt -92.76 137.9 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.7 164.33 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -73.49 -31.55 63.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.13 -39.62 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -62.23 -34.52 76.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.13 72.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.7 -51.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -60.48 -34.38 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.1 tp -78.48 -31.18 47.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -82.5 -33.07 28.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.08 75.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -176.91 -43.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.75 154.45 25.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -76.7 -61.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -90.43 123.29 34.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -122.57 103.79 8.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.0 mt -99.59 89.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.56 158.07 24.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.1 m -130.21 85.11 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.9 m -100.1 148.71 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.05 175.28 5.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -72.37 125.78 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.29 86.02 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.8 26.26 20.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -95.02 177.99 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 tt -141.66 101.86 5.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.03 -179.76 2.35 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.391 2.061 . . . . 0.0 112.291 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -115.35 -54.79 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 61.03 166.31 0.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.035 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -151.25 84.93 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.07 81.12 3.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 p -135.25 57.5 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t 63.05 148.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.9 99.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -93.45 68.76 4.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.0 m -117.84 -42.29 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.1 83.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -105.51 -38.24 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.3 pt -110.77 123.27 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.18 112.72 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.94 112.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 m -97.98 110.27 22.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.5 p -139.4 176.52 8.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -166.38 53.18 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.592 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.98 176.69 6.6 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.515 2.143 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 m 60.27 58.83 2.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.3 t -72.72 -31.35 64.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.534 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.96 159.67 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.23 128.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.43 -133.85 1.98 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -73.28 138.25 45.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -71.07 148.2 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.68 -101.48 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -106.11 117.62 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.6 mtm-85 -78.09 172.42 13.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -111.15 95.41 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.51 95.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.8 m -97.28 80.72 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mt -137.19 -53.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -150.95 164.22 36.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.31 84.08 2.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.784 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.94 84.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -98.67 136.94 38.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.35 42.51 0.21 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.05 140.31 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.35 30.39 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.04 141.52 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -89.99 147.27 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -128.92 122.77 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.57 90.75 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -81.64 128.05 33.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.4 mt -137.9 128.52 26.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 t -105.42 124.89 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.9 mt -100.21 149.45 23.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.99 -92.33 0.17 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.47 -49.14 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.03 43.42 1.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -98.04 -177.7 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -164.46 151.58 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -65.59 -48.81 71.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.54 35.38 8.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -111.95 130.15 55.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -91.84 84.71 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 pt -70.09 169.77 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.84 176.92 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.46 -174.76 7.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.04 179.85 38.53 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.59 76.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -47.13 70.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -71.01 -30.09 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.59 33.12 7.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.434 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.5 tp -135.7 155.28 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.42 -166.08 1.07 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.6 mm -117.18 89.15 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -90.16 -174.99 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 37.4 mt -131.99 114.9 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 t -132.57 47.78 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.37 134.45 3.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.41 96.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.82 148.21 92.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 122.12 8.38 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.497 2.132 . . . . 0.0 112.287 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.87 34.18 43.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.0 p -95.53 161.73 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.56 -31.86 71.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.45 75.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -69.46 -31.49 69.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.51 -37.06 53.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -68.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.25 44.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.5 mt -109.46 101.45 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -97.17 -172.66 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.6 m -84.63 147.1 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.24 -29.08 12.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.59 119.41 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -89.31 113.75 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.2 mt -73.33 113.8 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt -83.77 -40.21 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pm0 -161.08 159.09 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.5 t -146.32 128.15 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 60.37 30.92 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.3 27.69 57.22 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.599 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -129.06 136.6 50.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -67.17 117.61 9.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.421 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.6 m-85 -103.72 30.09 5.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.2 mt -102.37 -31.04 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -122.81 33.68 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.5 tt -97.76 154.03 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.66 155.66 40.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -63.45 -55.32 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.71 -41.15 97.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.92 -33.12 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.89 -33.86 62.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.92 -29.52 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -31.7 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.7 tp -76.83 -34.48 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.5 mt -77.07 -31.21 55.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -103.22 42.83 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.0 t -141.63 -50.63 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 t -76.57 140.46 41.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -66.89 -54.35 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.422 ' CD2' HD11 ' A' ' 97' ' ' ILE . 0.8 OUTLIER -83.44 135.41 34.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.4 mt -137.37 122.28 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.422 HD11 ' CD2' ' A' ' 95' ' ' HIS . 3.5 mp -129.92 82.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.48 151.96 37.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.1 m -127.12 88.05 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.9 m -100.33 158.91 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 162.75 14.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -70.15 95.47 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.2 t -62.44 -32.22 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.66 -61.11 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.47 96.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.7 mt -116.11 118.97 37.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.791 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -52.06 -57.3 2.21 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.371 2.047 . . . . 0.0 112.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.5 161.37 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.2 97.0 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -128.91 102.44 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.35 166.13 25.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.1 m -107.1 -31.67 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.29 115.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.16 -46.83 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.4 129.2 34.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.49 -47.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.73 32.75 5.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 61.93 173.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.4 tp -59.39 114.2 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.64 118.51 12.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.057 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 101.98 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.5 t -100.91 82.97 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 m -145.81 -177.72 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 61.68 61.19 7.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.78 143.44 47.75 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.574 2.182 . . . . 0.0 112.284 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.24 -51.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.71 31.76 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.485 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -173.94 92.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.74 160.02 16.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.43 -45.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.555 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -130.09 -176.38 3.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.12 152.29 18.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.71 138.54 42.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.81 150.06 48.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.363 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -118.74 -60.26 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -60.03 152.28 24.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -133.18 -55.9 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p 56.4 32.71 21.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.32 142.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -150.11 -46.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.8 tp -167.96 135.94 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.85 174.14 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -100.02 155.69 17.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.23 135.74 7.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.69 63.6 0.26 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.56 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -102.59 134.12 46.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.63 161.11 24.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -126.8 162.46 25.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.53 135.11 42.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.2 90.51 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -76.64 119.21 20.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.8 mt -123.0 137.05 55.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.23 108.96 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mt -95.67 163.87 13.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.06 43.9 1.58 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.399 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 59.79 39.2 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.54 -39.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -59.36 175.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.3 p -149.06 171.53 16.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -79.52 -35.96 39.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.88 40.79 93.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.526 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -116.36 137.12 52.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 m -94.74 85.92 4.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.8 pt -72.06 151.76 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -133.62 156.19 48.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.8 150.85 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -159.12 171.54 35.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.91 -30.22 70.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -73.07 -30.7 63.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -95.26 18.84 11.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.259 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.06 26.07 18.88 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.781 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 tp -130.1 138.93 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.26 -176.04 2.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 mm -98.41 115.25 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -119.34 -175.71 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.2 mt -127.09 143.23 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 t -157.18 42.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.62 139.84 5.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.31 109.75 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 111.085 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.98 145.44 53.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.72 136.08 22.7 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.516 2.144 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.6 31.08 51.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.7 p -107.33 150.48 26.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.735 0.303 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -32.04 72.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.19 65.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.19 -31.17 65.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.4 -33.42 64.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -71.32 -38.48 71.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.71 39.83 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.84 120.29 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.83 178.81 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.6 m -84.74 149.63 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.95 -26.35 23.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.91 151.91 20.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -118.61 116.97 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.6 mt -72.99 134.09 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.7 mt -104.01 -49.23 3.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -156.68 152.92 27.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.9 128.02 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 60.47 31.23 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.78 27.9 59.98 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.51 134.93 54.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.84 109.98 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -101.47 30.24 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.11 -31.66 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -137.29 74.49 1.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.7 tt -127.16 150.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.7 mt -60.48 156.87 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -66.49 -31.31 71.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -83.93 -42.47 16.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -60.25 -36.88 78.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.04 84.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.8 t -70.76 -53.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.94 -45.19 93.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 tp -64.68 -31.37 72.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.89 -35.34 57.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -107.7 58.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.1 t -148.68 -50.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -76.32 150.04 36.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -73.25 -45.43 55.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.0 112.77 24.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.0 mt -115.57 117.58 30.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mt -119.49 80.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 mp -68.95 141.14 55.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -114.68 92.71 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.24 143.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -100.01 164.73 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -71.93 96.81 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.03 -60.5 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.051 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.14 63.36 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.517 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -40.18 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp -108.31 163.75 16.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.74 174.88 9.7 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.574 2.183 . . . . 0.0 112.301 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -119.38 125.45 49.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.29 -39.57 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 62.77 -80.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.94 158.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.02 144.69 40.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.0 -30.98 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.48 137.46 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 109.87 16.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.32 -45.02 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.74 30.72 16.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -164.59 89.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -102.67 120.39 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -119.12 36.48 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 m 59.0 173.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.6 t -135.13 122.31 21.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p -132.25 115.83 16.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.93 74.16 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.17 137.51 54.66 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.627 2.218 . . . . 0.0 112.283 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m -92.72 -59.81 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 82.8 p -134.37 31.4 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.492 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -151.73 163.1 39.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.88 158.15 2.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.59 28.89 7.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.09 95.38 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.75 54.97 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.18 -50.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.66 172.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -109.07 108.46 19.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -95.29 149.6 21.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m 60.57 85.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 p -77.67 -33.2 53.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mp -128.6 179.39 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 60.37 169.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 tp -159.61 97.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mt -93.83 145.68 24.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -77.61 -177.66 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.2 151.34 5.46 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.82 45.4 0.22 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -131.83 32.07 4.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.766 0.317 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -97.26 139.11 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -128.33 110.65 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -95.74 140.86 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.12 103.01 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -74.19 148.67 41.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.9 mt -150.67 140.2 21.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.22 107.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.7 mt -79.18 115.92 19.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.01 72.3 0.71 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.438 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.59 -79.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.62 75.37 0.64 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.68 166.07 25.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.91 176.32 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.7 mt -87.91 -46.13 9.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.64 44.9 7.58 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.3 mt -119.87 133.46 55.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 m -93.18 72.44 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pt -70.09 150.35 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.79 145.9 36.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.01 155.55 29.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.38 -161.65 31.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.74 -29.7 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 -49.1 74.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -96.75 18.16 15.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.04 26.08 18.81 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.762 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 tp -118.92 151.2 38.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.326 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.29 178.42 8.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.9 mm -95.47 94.73 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 0.0 111.061 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -99.61 -177.34 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.9 mt -129.8 156.08 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -166.7 42.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.47 140.98 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.608 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.7 133.75 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -96.65 140.45 22.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.66 117.49 4.78 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.49 2.127 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.74 -24.76 18.78 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.695 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.2 p -57.72 171.75 0.44 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.809 0.338 . . . . 0.0 110.982 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.57 -38.6 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.78 89.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -41.65 97.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.55 -37.52 78.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -61.44 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.2 45.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.4 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.6 126.5 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -116.09 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -78.97 136.48 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.39 -24.73 25.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.578 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.06 144.47 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -108.62 130.16 55.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.3 mt -89.96 126.49 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.67 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -135.44 165.1 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.409 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.3 t -151.18 122.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 60.15 31.15 20.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.99 28.21 50.72 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -129.17 130.78 46.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.66 118.01 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.409 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 4.2 m-85 -99.64 41.05 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.9 mt -93.57 -31.06 14.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -132.73 39.92 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.0 tt -94.1 146.63 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.84 161.86 6.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -77.68 -35.19 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -80.12 -31.53 39.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -74.31 -34.61 63.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.02 -30.87 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.4 -51.2 13.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -59.85 -41.85 92.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.86 -34.33 73.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.2 mt -77.51 -31.65 53.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.38 75.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -177.12 -45.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -72.65 178.26 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -74.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -72.96 130.82 41.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 77.1 mt -133.58 116.3 15.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mt -122.5 93.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.16 145.66 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -120.74 82.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.5 m -90.17 163.56 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.15 172.89 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.39 110.58 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.28 -52.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -92.58 114.2 4.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.76 22.34 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 tt 61.25 92.64 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.05 149.97 71.98 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.49 2.126 . . . . 0.0 112.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.9 -43.61 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.29 142.1 41.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.18 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -61.8 -64.9 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.7 m 60.81 85.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.2 p -75.58 -45.65 36.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.03 -67.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 t0 57.16 31.23 19.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -144.88 102.7 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.7 p -143.4 60.06 1.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -147.01 -48.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -129.85 111.94 13.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.6 mt -127.39 149.36 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -94.35 169.66 10.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.3 t -83.43 -36.01 24.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 m -153.15 -56.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.0 p -176.26 -63.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 152.26 148.8 4.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.6 129.86 16.28 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.608 2.206 . . . . 0.0 112.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.5 m -163.7 -65.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 p -115.08 -178.18 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.498 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.47 102.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.362 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -74.43 173.98 9.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.17 121.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 p -143.66 179.29 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.839 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 p 54.01 83.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.026 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.14 71.71 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -134.78 177.57 7.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.53 132.3 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -163.42 -54.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.8 p -79.83 157.35 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.55 66.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.1 178.92 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -126.36 141.81 51.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.92 38.8 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.71 38.18 3.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -101.66 137.15 40.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.31 -156.39 15.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.69 -45.73 1.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -130.95 31.33 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.23 129.83 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -117.75 138.66 51.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -108.69 129.18 55.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 96.76 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -80.85 128.76 34.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.7 mt -124.62 128.68 49.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.18 108.7 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -88.38 135.07 33.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.12 -117.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.387 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.42 -75.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.76 74.87 0.43 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.426 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.2 -173.75 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.382 . . . . 0.0 110.81 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 m -145.56 -175.24 4.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.1 mt -100.4 -53.24 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.09 28.32 23.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.561 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.2 mt -105.05 140.94 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -104.59 80.36 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 pt -71.78 156.76 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -135.51 155.94 49.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.07 154.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.57 -113.2 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.22 -41.88 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.33 -46.65 89.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -78.11 -31.35 49.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.28 28.51 14.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.3 tp -120.93 148.18 44.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.42 164.21 20.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.437 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.09 92.25 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 111.129 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 83.4 m-85 -101.67 178.07 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 31.2 mt -123.67 148.89 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.031 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -159.11 37.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.3 133.72 2.94 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.85 97.73 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.04 110.27 2.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.36 118.47 5.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.462 2.108 . . . . 0.0 112.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.56 30.86 14.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.8 p -108.78 179.33 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -43.21 63.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.34 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.972 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -37.45 86.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.39 -28.01 71.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.583 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -67.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.52 46.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.435 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 25.2 mt -112.62 109.24 18.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -112.72 175.56 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 m -67.74 138.32 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.41 -25.38 19.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.92 144.26 39.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -111.02 108.43 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 36.9 mt -73.31 114.56 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.5 mt -85.39 -46.94 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 pm0 -159.45 154.8 25.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.35 135.26 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 60.82 29.76 19.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.81 36.79 83.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.77 138.79 45.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -62.81 125.12 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -110.07 29.94 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -87.57 -56.88 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -98.46 32.24 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 tp -89.64 136.65 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.2 165.46 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.14 -49.88 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -63.8 -31.37 72.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -74.86 -31.14 61.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.06 -34.23 66.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.2 t -79.41 -31.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -31.52 27.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -77.6 -34.77 53.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.7 mt -78.34 -31.97 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -104.24 59.68 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.1 t -154.32 -61.01 0.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -67.28 155.34 39.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -32.01 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -104.29 99.91 9.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.9 mt -108.43 109.88 21.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.7 mt -107.68 72.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.037 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.39 147.17 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.9 m -123.51 87.1 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.1 m -104.39 157.37 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -106.06 156.54 18.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -67.88 88.23 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.98 -63.06 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -109.37 89.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.578 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.01 124.41 39.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.35 156.18 56.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.992 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.55 -170.58 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.528 2.152 . . . . 0.0 112.402 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -93.86 -64.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -171.25 159.39 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.47 -67.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.94 -179.2 4.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.28 -44.98 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.5 p -179.53 -37.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.233 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.65 54.97 1.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.795 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.48 70.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.94 78.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -84.74 97.99 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -161.56 88.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 21.2 mt -108.43 30.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.92 -176.39 5.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 m -119.73 76.0 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.045 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 75.1 p -101.83 133.39 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.14 173.77 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.929 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 128.35 147.85 6.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.71 -16.4 29.99 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.575 2.183 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.67 -45.08 0.21 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.15 107.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.478 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m 63.67 132.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.373 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t 60.69 -176.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.35 171.36 13.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.444 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.95 30.1 0.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m 59.49 98.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.84 82.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.55 78.28 9.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -131.5 -46.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -86.08 -67.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.77 170.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.61 -67.1 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mp -134.98 113.79 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -73.68 -68.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.8 mt -148.84 97.53 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.9 -31.56 12.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.0 -178.86 5.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.33 35.42 4.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.19 -167.97 11.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -120.61 160.52 23.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.99 122.34 35.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -97.32 122.88 40.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 136.72 44.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -128.1 89.32 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 p-10 -79.1 99.95 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.1 mt -108.71 127.63 54.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.92 126.59 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.2 mt -109.08 -171.57 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.733 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.16 41.79 1.46 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.549 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.89 31.07 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.929 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.02 -41.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -58.14 -171.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -166.32 148.62 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.89 -36.08 80.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.14 53.19 7.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -133.33 158.47 42.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.1 m -114.26 89.26 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 pt -70.01 166.59 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -138.06 177.64 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.35 -161.63 25.7 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.76 -173.07 27.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.71 -35.25 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.073 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.22 -31.7 70.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -99.98 -31.17 11.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.76 32.44 6.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.6 tp -125.04 155.47 39.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.33 177.72 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.8 mm -104.74 92.41 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -96.39 -178.56 4.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.5 mt -127.07 126.36 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.6 p -138.83 39.86 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.82 135.8 4.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.19 115.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -91.61 139.07 24.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.68 116.39 4.45 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.531 2.154 . . . . 0.0 112.317 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.92 33.38 5.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.584 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 p -115.85 169.16 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.71 -37.04 83.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.42 69.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.94 -31.47 71.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.83 -29.51 34.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -68.96 -49.79 54.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.63 44.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mt -105.81 125.06 50.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.52 173.61 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 m -78.2 137.87 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.01 -28.3 8.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.419 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.31 151.82 35.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -113.19 118.94 36.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.4 mt -73.54 113.06 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.6 mt -78.95 -56.29 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -154.05 162.06 41.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.5 t -137.17 122.2 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.17 33.63 21.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.42 27.65 61.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.404 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.14 124.39 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.83 119.62 11.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -98.6 33.69 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.3 mt -82.82 -54.05 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -104.43 43.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.1 tt -97.31 146.75 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.08 149.26 41.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.26 -45.93 91.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.06 -38.77 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -63.51 -43.43 97.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.35 80.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.2 t -67.45 -45.32 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -68.9 -47.62 65.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.0 tp -59.81 -31.56 69.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.3 mt -85.42 -30.67 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.26 69.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -177.0 -44.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.52 165.79 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -83.05 -75.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.62 128.59 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.84 102.57 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.5 mt -100.89 85.46 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.27 146.41 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.0 m -122.65 85.5 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.26 143.1 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.19 159.96 14.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.86 106.12 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.29 75.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 178.72 37.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.549 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -114.56 -45.21 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -140.27 161.05 57.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.61 130.01 34.84 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.544 2.162 . . . . 0.0 112.263 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.69 130.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 68.05 -68.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.79 138.29 11.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -140.43 136.87 33.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.13 37.12 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 16.1 m -112.75 -38.47 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -75.98 101.08 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -150.13 31.7 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 74.2 p -110.41 39.7 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.77 125.02 34.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.2 m0 59.85 175.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.8 pt -86.83 155.48 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -155.51 170.59 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.5 p -131.23 45.38 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.89 99.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 p -171.35 140.51 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.43 58.01 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 -45.37 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.519 2.146 . . . . 0.0 112.377 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.5 p -102.71 128.97 49.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 97.9 p -133.6 124.52 26.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.507 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -72.63 -31.41 65.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t 60.92 86.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.73 -56.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.26 178.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -141.83 177.58 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.39 112.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -56.64 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.76 72.21 1.73 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.19 -169.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 p -132.15 -77.73 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.6 p -141.24 110.91 6.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.81 107.64 12.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -109.22 -30.22 8.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.66 103.43 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.75 143.09 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -31.25 18.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.27 116.02 5.47 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.85 52.93 0.5 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -86.43 105.75 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.53 134.27 47.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -113.58 142.2 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -115.36 139.84 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.64 108.6 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -87.31 122.66 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.7 mt -120.34 106.8 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.46 116.59 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.1 mt -102.06 158.43 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.98 -56.35 4.87 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.44 31.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.36 46.86 0.31 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.569 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -79.56 -3.53 47.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.627 0.251 . . . . 0.0 111.311 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m 59.94 178.53 0.09 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mt -112.97 -50.74 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.44 49.61 2.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mt -134.23 131.81 38.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -96.42 89.0 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -72.19 168.46 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -141.12 169.2 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.41 166.03 4.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.535 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.53 -168.19 38.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.69 -36.6 57.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.89 -51.95 67.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -76.27 -29.63 57.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.89 29.58 9.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.2 tp -122.32 159.1 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.04 -149.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mm -129.99 92.93 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.745 0.307 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 69' ' ' GLN . 97.2 m-85 -91.19 -176.81 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.0 mt -132.35 119.4 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -133.4 46.57 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.71 143.17 7.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.596 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.41 121.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.57 145.68 75.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.25 110.03 2.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.519 2.146 . . . . 0.0 112.371 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.52 34.92 34.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.3 p -94.12 173.92 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.18 -38.11 89.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.51 -31.58 62.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -69.16 -33.21 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.81 -44.42 38.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t -60.62 -39.76 89.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.67 40.46 0.46 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.33 109.05 20.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -112.77 176.14 5.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.63 152.15 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.95 26.76 21.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.604 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.42 153.44 26.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.408 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 5.8 tm0? -120.43 111.78 18.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.6 mt -75.0 135.08 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -101.85 -51.24 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 pm0 -152.61 156.89 40.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -138.81 123.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 60.8 30.61 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.53 28.4 55.37 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.6 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -123.28 135.21 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.49 115.19 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -104.06 30.87 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 mt -92.18 -43.21 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -116.66 36.01 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 tt -91.86 148.98 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.67 151.74 37.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -66.18 -41.12 90.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.27 -37.46 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.8 -37.32 87.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.37 -31.25 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.042 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.5 t -83.46 -38.11 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.049 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -73.58 -40.67 63.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.3 tp -69.4 -38.15 77.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.8 mt -72.15 -32.7 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -106.83 71.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 t -176.01 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.92 158.23 28.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.34 -62.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.32 125.05 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.7 mt -133.04 112.14 11.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.0 mt -113.02 86.5 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 mp -80.3 134.72 36.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.2 m -111.89 91.29 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.5 m -101.23 169.33 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -118.91 157.4 27.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.57 86.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.52 121.5 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 88.71 -52.21 3.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 60.56 111.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.93 139.87 35.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.55 147.94 52.73 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.478 2.119 . . . . 0.0 112.282 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -66.27 -61.87 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 64.18 -79.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.084 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -90.86 165.46 13.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.4 m 70.0 -64.52 0.35 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 8.2 m 68.22 103.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.2 m -78.96 150.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -162.08 112.56 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -59.45 87.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.8 t -98.97 31.58 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.46 101.01 4.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -145.96 -174.77 4.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.7 pt -128.59 101.51 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -153.54 142.33 21.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 61.0 157.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.33 119.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.788 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.2 m -106.05 171.28 7.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.93 -97.1 0.14 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.37 -29.86 60.38 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.55 2.167 . . . . 0.0 112.247 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.38 -47.1 13.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.5 m -59.56 143.75 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.534 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 p -135.19 147.4 49.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -93.21 -45.38 7.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.8 106.14 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.24 152.2 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -147.03 155.73 42.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.47 114.15 1.57 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -166.51 32.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 106.41 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -136.97 -65.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.8 p -157.02 98.76 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -146.65 -47.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.06 131.43 36.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.57 170.38 11.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.39 102.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.7 163.15 13.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -83.33 157.51 22.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.72 96.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.53 160.13 23.71 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -118.2 112.84 20.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -130.99 125.96 34.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -103.9 133.77 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.94 150.87 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.96 97.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -75.67 112.45 12.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.3 mt -118.06 117.75 30.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.25 127.03 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.5 mt -103.21 -177.91 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.45 -84.04 1.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.442 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.21 -47.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.27 28.46 3.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -76.46 -178.49 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 m -152.52 176.89 11.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mt -96.36 -51.47 4.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.64 30.08 7.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.464 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.0 mt -104.15 124.37 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -93.98 78.42 4.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.7 pt -69.96 164.12 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -137.07 176.28 8.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.65 170.13 0.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.601 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.55 -168.56 38.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.41 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.28 -55.37 8.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 111.083 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.08 -37.96 81.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -71.38 -30.08 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.15 30.27 14.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.401 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.2 tp -138.82 151.68 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.817 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.57 -178.09 4.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.545 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -101.87 95.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -101.42 -175.01 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mt -127.2 144.02 38.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.5 t -159.02 47.63 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.54 138.67 2.87 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.568 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.83 105.53 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.073 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.9 110.74 3.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.43 122.99 11.15 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.458 2.105 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.92 32.26 30.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.8 p -104.8 -174.99 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -78.1 -31.51 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.62 -33.13 58.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.71 -34.47 60.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.15 -28.41 73.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.55 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.87 -65.63 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.03 55.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.64 121.47 45.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.68 -178.52 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -95.79 129.02 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.13 -27.64 5.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.41 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.57 158.63 9.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -116.16 121.11 41.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.411 HD13 HG22 ' A' ' 70' ' ' ILE . 30.4 mt -76.79 103.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.99 -52.96 29.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.15 159.53 34.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.19 131.56 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 60.27 31.12 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.28 28.22 72.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -117.62 140.12 50.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -66.57 128.88 37.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.71 30.86 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.5 mt -93.2 -52.82 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -104.99 31.45 4.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 tt -90.18 148.51 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.61 150.06 47.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.51 -41.59 98.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.42 -41.58 80.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -65.47 -33.3 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.98 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.7 t -77.66 -36.46 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -40.89 27.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.13 -40.19 88.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 mt -72.05 -31.39 66.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -108.59 77.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.5 t -176.81 -45.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.58 165.57 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.7 mmt-85 -90.33 -65.95 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -79.95 103.37 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.1 mt -107.76 106.38 16.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.2 86.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.17 147.04 36.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.1 m -125.62 88.13 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.53 148.73 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.76 168.23 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.79 106.27 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.34 82.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.67 -50.63 2.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.85 -78.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.68 147.25 89.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.8 -61.77 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.575 2.184 . . . . 0.0 112.259 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.28 121.8 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -156.52 -47.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -142.11 101.22 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.0 m -126.98 113.46 16.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 30.3 p -128.86 89.35 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.76 -64.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -76.22 148.95 37.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -101.23 30.64 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.807 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 m -94.43 -29.0 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' O ' ' CD1' ' A' ' 118' ' ' TRP . 2.9 tmmt? 61.52 23.44 13.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 117' ' ' LYS . 15.2 m95 -149.13 63.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.794 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.9 57.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 58.99 30.48 20.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.249 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.9 p -141.7 156.37 45.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.1 t -141.63 123.79 15.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.6 t -88.69 -59.42 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 148.97 145.83 4.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.45 116.33 4.65 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.533 2.155 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.2 t 59.65 85.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.9 t -158.29 -48.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.308 -1.273 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -104.69 113.87 27.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m 60.27 31.49 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.21 -179.68 42.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -105.8 152.24 23.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.57 31.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.13 90.15 2.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.532 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.78 -174.07 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.832 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.41 168.73 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.31 123.87 32.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -80.74 135.83 36.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -105.08 144.04 32.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.1 tp -143.79 -47.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -114.81 144.86 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.06 30.52 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.95 106.94 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.806 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -108.78 -31.41 7.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.52 -122.86 5.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.54 168.48 16.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.57 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -166.98 34.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.05 148.06 25.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -129.06 121.09 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -93.85 143.62 26.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.23 84.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -69.99 128.54 36.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.8 mt -126.9 135.48 51.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.68 111.31 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -87.52 147.18 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.96 -91.89 0.64 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -133.09 99.37 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.338 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.51 71.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.377 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.14 -177.3 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -147.47 158.37 43.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.4 mt -82.38 -50.72 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.97 50.45 2.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mt -131.67 130.53 42.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -90.32 84.07 6.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.6 pt -70.58 161.82 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -144.82 169.42 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.62 168.14 15.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.74 169.48 38.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.88 84.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.83 -39.31 93.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -90.54 10.31 25.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.333 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.09 45.02 83.52 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.667 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 tp -143.74 161.37 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.18 -158.6 9.52 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mm -118.75 88.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -85.56 -175.03 5.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 50' ' ' ILE . 32.1 mt -144.05 104.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 t -119.23 46.74 1.82 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.13 140.83 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.94 108.62 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.9 135.69 96.18 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.66 94.4 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.456 2.104 . . . . 0.0 112.382 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.12 48.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.65 -174.38 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.16 -34.37 61.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.21 -41.52 70.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.96 -31.42 72.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -83.43 -34.44 19.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.574 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.8 p -61.61 -70.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.08 43.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.578 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -106.17 150.26 26.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.806 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 -177.97 5.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.1 m -87.4 136.62 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.73 23.72 20.05 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.74 152.26 19.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.759 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -114.35 102.47 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.95 131.28 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -96.1 -64.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.48 160.13 42.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.415 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.0 t -142.94 124.29 11.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 60.9 30.8 19.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.42 29.56 57.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.14 140.15 53.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.5 t -70.74 117.71 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 4.0 m-85 -107.27 35.19 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.6 mt -108.94 -44.95 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -110.63 36.34 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.1 tt -103.72 153.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.53 149.57 38.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -65.84 -45.77 80.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.61 -35.33 80.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -65.47 -40.14 92.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.41 69.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.29 -42.88 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -50.73 53.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 tp -60.15 -31.36 70.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.1 mt -81.0 -32.16 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.11 70.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 t -171.51 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m -80.59 176.75 9.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -96.0 -64.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.51 131.88 34.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.6 mt -135.91 118.94 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.49 80.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.7 mp -76.23 130.76 38.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -109.25 99.56 8.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.6 m -108.33 139.95 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -98.78 166.44 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.45 95.36 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.3 110.42 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 130.92 86.51 0.39 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -146.14 175.07 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.87 100.35 12.1 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.99 133.52 29.28 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.383 2.056 . . . . 0.0 112.277 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -103.92 116.5 32.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.39 -46.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -153.02 153.94 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 60.39 178.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.3 t -159.08 37.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.34 153.61 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -152.91 -60.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 59.99 75.06 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 t -112.97 52.97 0.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.86 82.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.89 166.48 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.3 mt -62.64 124.59 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.55 31.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.4 m -151.8 31.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -87.76 65.96 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -31.18 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.68 90.07 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.25 -28.2 27.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.575 2.183 . . . . 0.0 112.296 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.53 109.3 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.7 t -101.2 168.89 9.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.344 -1.254 . . . . 0.0 112.507 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.66 120.33 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.16 99.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.21 54.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -78.07 -36.36 48.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.05 158.33 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.6 -99.82 2.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 62.7 120.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -69.29 -52.54 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -125.62 25.62 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.9 t 56.23 172.07 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.5 p -106.23 83.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 pp -148.69 136.72 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.12 -65.11 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.06 105.65 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.31 103.02 3.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -152.63 -50.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.9 -70.94 0.51 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.445 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.82 74.36 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.565 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -101.25 164.53 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -100.46 127.65 46.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -115.23 123.32 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.95 120.3 41.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.58 112.11 38.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -93.93 134.75 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.1 mt -135.58 135.4 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG23 ' CE1' ' A' ' 95' ' ' HIS . 21.5 t -108.69 96.37 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 mt -68.23 135.99 52.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.9 -101.93 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.391 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -135.04 101.1 4.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.33 34.73 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -104.15 176.09 5.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -163.08 152.16 14.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -62.36 -31.76 72.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.8 35.46 92.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.3 mt -104.15 155.65 18.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 m -113.58 77.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.0 pt -74.38 166.14 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -143.62 177.07 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.41 164.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -169.13 -174.6 37.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.15 -22.01 62.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 111.37 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.95 27.92 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.133 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -147.34 20.26 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.234 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.9 26.81 8.84 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.778 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.0 tp -135.28 160.69 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.25 -163.04 37.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -105.72 116.76 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.365 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -116.58 -177.33 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 mt -132.78 146.64 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -161.67 39.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.6 135.94 2.56 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.74 127.51 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 111.02 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 149.35 75.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.59 92.93 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.574 2.183 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.81 38.98 12.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 p -89.94 177.98 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.813 0.339 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.03 -34.19 74.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.99 60.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.62 -31.91 72.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.8 -43.06 60.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.538 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -57.06 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.334 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.87 49.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.433 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -104.79 147.44 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.01 -175.16 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 m -91.36 137.95 20.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.71 -28.63 9.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 143.52 47.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.27 111.31 23.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.4 mt -69.71 112.92 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.8 mt -73.53 -65.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.52 161.0 38.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.406 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.3 t -142.56 128.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 60.56 35.76 20.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.3 27.99 72.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.57 126.91 44.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 110.81 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.24 116.93 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.406 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.8 m-85 -98.7 30.28 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -93.0 -31.08 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -126.85 55.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 tp -116.67 137.23 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.49 149.92 28.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -63.33 -38.87 92.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -72.74 -34.49 67.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.17 -38.44 60.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.48 93.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.3 t -72.88 -49.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -46.57 89.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.74 -45.06 91.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.8 mt -59.98 -31.62 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -106.84 46.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.51 -59.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -65.8 166.04 11.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -91.25 -57.7 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.412 ' CE1' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -88.3 100.51 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.3 mt -99.97 119.6 38.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.3 mt -115.96 82.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.77 143.25 46.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -122.73 80.03 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.7 m -87.56 169.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 151.17 46.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.42 85.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.97 -30.5 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 173.58 44.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -100.33 170.04 8.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.3 mp -114.08 153.21 46.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.49 179.41 3.57 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.568 2.179 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.75 122.5 41.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -159.29 142.07 14.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -107.72 -39.08 5.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.07 93.03 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 35.84 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.5 p -106.57 -29.4 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.217 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 61.55 113.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 60.9 163.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.11 -38.45 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -163.46 -65.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -176.71 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.9 tt -57.64 148.68 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.23 -41.92 60.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.4 t 60.61 110.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.25 153.43 33.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.51 101.03 2.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.26 151.25 27.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.99 -39.4 6.12 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.647 2.231 . . . . 0.0 112.275 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 t 69.14 -67.65 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.028 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.89 54.68 1.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.485 179.892 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -100.36 -37.08 9.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -148.07 -50.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.35 -139.09 14.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.57 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.4 p -104.7 -67.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -157.36 -50.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.67 -172.52 26.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -168.58 -42.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.717 0.294 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 93.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -131.48 -45.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m 63.11 122.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -59.8 -53.76 54.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.3 mt -80.29 112.86 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.24 35.6 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.88 150.34 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.63 153.45 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -166.47 36.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.4 -174.69 25.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.74 -139.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -102.27 58.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.41 109.96 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -90.65 158.77 16.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -135.33 144.46 46.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.18 90.91 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -79.03 132.87 36.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.5 mt -136.75 142.68 43.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.82 90.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.5 mt -70.31 174.92 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.68 -98.71 2.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -125.09 92.42 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.38 28.19 68.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.474 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -68.56 -171.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.807 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -146.22 162.01 39.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.42 -47.62 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.98 33.28 5.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.392 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 mt -117.65 124.71 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.899 0.381 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -87.01 96.88 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 pt -89.54 161.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -142.73 165.28 27.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.27 154.6 6.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.71 -177.63 47.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.63 -30.22 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.72 0.295 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -32.64 45.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -93.46 13.42 21.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.231 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.9 26.63 26.98 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.717 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.3 tp -136.31 153.17 51.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.53 -170.51 7.53 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.9 mm -101.11 106.63 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.707 0.289 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -110.71 -175.8 2.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mt -125.66 152.34 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 t -167.38 38.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.87 146.45 9.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.72 108.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.8 142.3 94.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.33 109.5 2.93 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.516 2.144 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.05 38.15 9.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.538 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -104.68 175.27 5.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.766 0.317 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -69.85 -31.56 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.09 -49.3 24.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.21 -37.27 79.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.46 72.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -69.18 -55.78 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.32 54.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.5 mt -117.91 125.74 51.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -98.47 -176.94 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.4 m -99.55 120.97 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.05 -25.26 4.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.08 166.2 1.64 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -121.74 116.53 24.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.7 mt -76.15 109.29 9.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.45 -62.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.06 164.07 31.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.405 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.5 t -144.84 128.69 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 60.36 30.2 19.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.72 28.16 55.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -129.81 131.48 46.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.9 m -68.55 116.49 9.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.405 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 3.8 m-85 -97.62 39.12 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 mt -102.71 -31.3 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -121.86 36.56 4.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.8 tt -102.59 156.77 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mp -78.24 151.88 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -60.35 -47.4 86.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.68 -51.91 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -60.4 -31.64 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.81 -46.42 78.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.2 -42.11 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -67.07 -48.32 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.5 -37.77 82.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.1 mt -71.95 -31.09 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.38 38.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -136.45 -63.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.92 141.89 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -60.79 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -80.38 100.07 8.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.1 mt -97.36 123.13 41.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.4 mt -125.73 75.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.62 143.49 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.5 m -120.82 98.69 6.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.1 m -107.79 162.03 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -124.47 172.37 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -68.59 101.72 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.4 t -108.31 34.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -172.84 70.75 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.541 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -82.75 96.32 8.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.785 0.326 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.84 120.34 5.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.47 -176.27 1.9 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.451 2.101 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -73.19 165.62 24.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -136.5 170.32 16.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -155.78 31.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.9 p -142.21 51.5 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.2 p -98.24 35.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.8 p -156.1 112.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.01 171.56 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -134.38 122.8 23.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.61 -47.33 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.58 30.71 14.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -127.76 -51.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.4 pp -100.99 -178.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -144.81 139.22 27.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.68 102.8 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 m -115.23 -49.06 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.72 -48.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 153.79 162.99 11.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.2 172.09 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.618 2.212 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.54 81.13 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -31.7 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.56 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -157.29 114.75 3.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.368 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -152.67 158.93 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.91 52.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.36 45.91 0.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.959 0.409 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -142.23 -49.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.43 155.63 16.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -119.77 -42.17 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -74.0 134.64 43.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.87 131.49 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.61 85.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 p -153.71 32.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.26 114.43 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.96 -178.52 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.5 112.21 11.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.08 -65.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -135.92 112.7 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.9 139.97 14.83 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.93 -124.05 0.72 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.34 49.28 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.02 145.47 32.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -123.14 122.57 38.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 145.0 25.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.59 97.02 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -88.47 124.95 34.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.8 mt -129.41 130.53 46.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.03 116.3 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.9 mt -95.77 158.88 15.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.69 -68.02 1.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -162.84 -47.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.93 26.95 8.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.417 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -82.34 -176.56 6.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.97 168.05 28.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.3 mt -84.04 -41.53 17.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.97 37.46 33.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.6 mt -120.4 128.75 53.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.835 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -93.35 82.62 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.8 pt -72.09 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.31 167.51 25.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.63 160.46 2.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.78 -173.91 46.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.38 -30.61 68.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.044 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.33 -27.52 61.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -103.81 11.68 35.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.389 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.73 33.57 42.48 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.719 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.0 tp -137.13 153.76 50.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.65 -159.23 0.25 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -117.78 108.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 58.9 m-85 -109.54 -175.31 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.4 mt -127.47 141.15 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 t -152.04 43.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.11 154.08 17.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.597 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -151.37 127.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.93 111.18 48.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 91.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.47 2.113 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.64 42.28 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -122.42 172.43 8.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.57 -31.61 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.58 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.16 -31.34 64.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.93 -34.04 22.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -60.36 -60.89 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.57 54.33 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.0 mt -124.11 139.61 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -132.31 -178.18 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.2 m -78.98 117.16 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.35 -26.61 3.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.67 148.06 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.413 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.2 tm0? -116.35 117.19 29.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.06 123.9 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.6 mt -89.23 -42.99 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.78 154.67 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.9 t -138.44 129.53 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 60.76 30.92 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.33 28.45 67.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -120.77 138.29 54.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 129.5 40.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -116.71 33.36 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -100.13 -36.31 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -114.67 31.29 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 tt -95.0 133.91 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.16 161.11 9.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -72.37 -31.48 65.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.53 -44.88 33.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.6 -37.41 84.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.08 80.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.7 t -65.95 -31.51 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -37.17 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp -65.65 -53.99 33.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.2 mt -59.84 -34.2 72.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -101.85 57.38 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 t -152.36 -64.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t -61.84 149.71 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -31.38 53.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -109.75 125.22 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.8 mt -128.75 124.2 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.06 72.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.89 147.46 50.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -123.37 80.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.9 m -94.8 154.27 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -100.81 170.11 8.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.61 94.36 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.58 -32.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.39 65.54 0.77 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.561 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.2 -52.68 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.43 77.75 0.61 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.85 -29.47 18.63 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.342 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.11 145.41 46.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -150.0 105.62 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -72.29 -56.71 5.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.0 m -70.34 135.58 48.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 28.1 m -100.36 -52.43 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.54 112.44 29.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.7 -38.92 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 60.76 47.26 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.7 p -139.89 40.36 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -164.49 -59.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -62.08 -40.18 94.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.2 tp -124.0 124.73 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -92.21 103.69 16.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.48 125.21 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.12 152.34 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.1 m -128.89 158.55 38.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 123.84 164.28 11.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.489 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.94 -45.27 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.565 2.176 . . . . 0.0 112.296 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.2 p -117.76 97.59 5.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 t -114.55 -176.68 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.559 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t 60.73 32.8 20.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.45 -40.66 8.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.57 128.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.406 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 p -119.84 86.34 2.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -116.98 103.96 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.6 -94.02 0.24 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.08 109.06 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.11 30.55 3.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.94 152.66 30.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.86 160.42 20.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -133.65 167.98 19.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.53 84.92 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.25 94.4 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tp -132.57 97.62 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.43 -48.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -155.94 -54.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.79 -170.8 38.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.529 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.96 157.97 53.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.66 97.28 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.27 115.31 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -98.84 118.0 34.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -93.72 145.98 24.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.84 83.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -75.21 128.24 35.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 mt -131.27 141.54 50.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.92 113.62 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -97.02 166.81 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.11 -86.34 1.91 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.459 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.5 32.88 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.66 58.33 1.53 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -77.03 -4.8 46.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.591 0.234 . . . . 0.0 111.418 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.19 165.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -94.63 -44.91 7.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.74 41.38 6.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.8 mt -118.26 133.34 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -93.65 78.6 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.74 155.12 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.067 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.64 153.18 42.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.45 152.3 20.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.25 -168.81 41.48 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.64 -30.61 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.081 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.01 -33.84 76.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -109.8 20.07 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.88 25.27 15.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.676 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 tp -121.29 161.44 21.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.95 -146.77 0.4 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -127.15 107.59 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.894 0.378 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 65.7 m-85 -114.98 176.34 5.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 31.6 mt -120.62 138.82 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.8 t -143.77 38.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.24 138.8 3.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.07 114.47 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.02 135.8 95.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.75 117.97 4.92 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.469 2.113 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.87 42.59 16.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 p -114.25 175.79 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -67.6 -39.41 84.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.05 -31.34 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -31.19 68.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.04 -39.08 92.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -41.56 99.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.1 36.76 0.85 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.7 mt -86.72 128.06 35.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -115.48 174.47 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.13 135.86 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.6 -24.92 8.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.22 152.36 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 111.074 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.421 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.1 tm0? -116.93 113.4 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.7 mt -73.06 103.22 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.3 mt -73.66 -40.75 63.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.62 163.35 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.36 124.09 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 60.35 31.14 20.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.81 32.53 49.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -126.47 132.18 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -67.64 117.74 9.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -102.59 43.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.53 -49.91 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.63 32.17 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.9 tt -87.96 153.01 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.8 mt -75.12 149.77 38.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -62.94 -36.0 81.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -73.93 -35.16 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -68.94 -33.28 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.88 -45.86 84.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.9 t -71.84 -40.38 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -31.45 67.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.1 tp -80.77 -33.53 34.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 mt -75.92 -32.72 59.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -109.17 70.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.5 t -171.59 -51.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m -72.4 140.36 48.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -72.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -79.63 123.96 28.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.2 mt -123.13 126.7 47.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.83 96.73 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.71 164.24 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.5 m -138.47 82.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.56 163.45 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -116.95 154.92 30.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -64.04 103.61 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.9 t -110.5 -64.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -89.24 68.79 2.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.582 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -88.09 -64.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.2 mt -82.25 160.37 62.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.04 165.4 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.553 2.169 . . . . 0.0 112.302 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -100.33 -67.43 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 55.35 -169.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.16 155.97 24.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.7 m 60.83 100.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -68.11 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.8 m -141.46 179.61 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -127.54 -50.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.32 32.6 22.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.0 m -99.71 36.85 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -133.59 99.28 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -87.9 127.55 35.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.6 pp -70.6 -179.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.199 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -169.72 -44.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.072 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.1 m -150.7 -49.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.59 -173.79 3.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m -169.61 155.08 5.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -93.69 -55.56 1.52 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.2 110.9 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.674 2.249 . . . . 0.0 112.254 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.38 -69.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.59 154.28 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.555 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.41 31.63 20.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.17 114.22 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.94 153.93 20.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 m -131.98 92.73 3.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -65.83 166.3 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.47 -85.61 0.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.404 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -108.36 122.17 46.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.72 36.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 ttp85 -66.6 -31.72 72.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -166.08 87.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -138.81 -61.13 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.41 HD12 ' CD2' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -129.14 150.65 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.41 ' CD2' HD12 ' A' ' 13' ' ' LEU . 93.6 m-70 60.7 107.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -104.62 37.36 2.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.49 31.6 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.764 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -99.83 -57.11 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.97 -159.77 21.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.42 130.14 11.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -114.4 177.85 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -94.01 164.73 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -145.57 110.54 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -89.47 130.31 35.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.57 95.75 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -81.87 141.71 33.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.3 mt -130.18 119.46 22.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 t -91.54 100.03 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.94 138.49 33.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.84 -69.2 1.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -152.7 -65.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.67 33.71 6.02 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -92.07 171.13 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 p -154.29 173.41 16.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.7 mt -87.69 -33.14 18.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.83 32.53 82.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.4 mt -107.22 152.06 24.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 m -107.77 105.15 14.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.8 pt -88.32 173.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.13 172.61 13.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.99 166.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -164.98 -171.18 30.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.563 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.28 -50.14 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -57.48 -33.3 67.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -84.74 -25.68 28.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.18 27.47 25.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.323 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.0 tp -122.27 153.65 38.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.65 -166.31 4.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mm -115.38 81.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 69' ' ' GLN . 47.7 m-85 -84.43 -174.93 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.6 mt -138.59 128.33 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 t -137.19 31.69 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.79 141.52 7.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.634 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.47 116.71 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.06 145.61 84.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.17 1.53 9.09 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.644 2.229 . . . . 0.0 112.848 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.57 41.06 0.8 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 p -107.04 -178.01 3.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -83.58 -30.4 27.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.42 80.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -40.3 96.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.46 -28.43 59.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.573 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.13 -59.34 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.98 49.9 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mt -120.6 138.68 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 -177.63 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.6 m -77.69 157.85 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.34 -28.26 13.86 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.542 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.19 141.53 58.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.415 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.3 tt0 -110.84 116.62 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.67 114.05 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.55 -44.15 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -160.69 158.69 29.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.413 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 21.5 t -145.16 129.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 60.5 30.46 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.3 28.23 64.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.0 140.01 53.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.309 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 t -72.5 115.73 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.413 ' CZ ' ' HB ' ' A' ' 73' ' ' VAL . 4.0 m-85 -100.29 38.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 68.9 mt -106.28 -33.8 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -118.43 34.08 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.5 tt -103.66 143.12 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.47 163.59 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -71.03 -49.04 49.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -64.96 -38.01 89.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -62.62 -42.63 99.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.36 -33.56 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.95 -40.38 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -39.14 68.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.4 tp -71.27 -31.42 67.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.8 mt -79.55 -34.87 40.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.26 72.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.67 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.86 155.67 37.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -66.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.72 142.3 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.2 mt -137.17 110.53 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.9 mp -111.32 92.94 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.38 150.05 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.8 m -127.54 79.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.3 m -90.58 152.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.58 158.95 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.8 117.03 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.57 105.08 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 72.76 52.85 8.92 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.566 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -43.65 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.64 134.67 24.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.33 139.72 13.26 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.513 2.142 . . . . 0.0 112.377 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -80.98 -15.95 54.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 67.73 170.63 0.27 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.36 . . . . 0.0 111.188 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.98 -177.14 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 m 65.95 126.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.1 t -127.56 127.72 44.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.23 -41.69 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.49 88.24 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -139.73 -48.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.5 p -126.01 34.57 4.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.97 81.24 1.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -126.81 -54.23 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.4 pt -126.69 109.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 59.97 -176.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.93 169.47 8.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 59.2 m -151.05 -178.06 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.69 33.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.3 168.91 9.23 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.25 162.86 1.85 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.643 2.229 . . . . 0.0 112.286 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.4 t -74.81 103.45 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.65 140.0 31.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.323 -1.265 . . . . 0.0 112.465 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.67 147.48 30.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 p -95.72 -35.34 11.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.79 -60.23 4.64 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 p -65.17 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.28 126.5 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.85 -61.51 1.0 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.553 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -163.72 126.13 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -90.4 83.74 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -82.4 105.81 13.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -130.8 146.5 52.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -136.9 -66.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.24 138.3 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.57 161.87 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.52 120.23 32.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.83 179.22 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.28 149.59 49.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.71 -154.83 8.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.8 -173.94 35.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.98 128.18 34.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.58 143.75 26.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -95.57 110.43 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 134.94 42.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.35 99.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.44 114.8 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -114.62 109.14 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.86 103.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 mt -83.72 -174.69 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.81 -82.08 0.5 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.388 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.24 30.76 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.99 56.74 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.412 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mtm-85 -77.07 -5.87 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.589 0.233 . . . . 0.0 111.376 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m 58.53 164.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mt -93.93 -57.93 2.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.94 30.58 6.66 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.7 mt -106.52 155.91 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -117.55 84.82 2.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 pt -83.12 144.37 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.196 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.16 146.26 46.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.23 145.03 7.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.49 -154.21 15.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.426 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.95 -31.15 70.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.58 -31.67 72.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -110.76 16.53 21.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.321 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.87 25.42 15.99 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.716 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 tp -124.89 157.37 36.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.39 173.69 19.62 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 mm -90.05 122.31 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -126.81 -176.35 3.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.1 mt -130.21 149.32 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 p -157.75 35.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.39 150.8 10.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.629 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.98 135.52 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.18 148.52 98.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.84 62.31 3.1 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.597 2.198 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.65 98.65 2.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.69 -171.27 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.56 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.46 -49.47 14.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.26 -36.65 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.6 -30.01 60.69 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -68.11 -68.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.84 59.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mt -108.32 171.73 7.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.14 177.86 7.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.5 m -98.78 31.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.76 28.62 0.6 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.439 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -96.41 162.54 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -122.24 122.8 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.9 mt -80.83 115.65 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.8 mt -84.41 -38.08 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.12 162.16 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.97 118.87 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 60.59 31.15 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.56 28.72 46.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.11 140.56 50.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.54 111.46 12.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -103.93 32.94 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.1 -31.63 27.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -139.61 41.95 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.2 tt -88.39 142.75 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.18 152.99 31.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -60.03 -52.2 66.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.68 -49.99 75.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.2 -31.03 70.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.93 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.071 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 t -68.02 -45.67 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.82 -48.98 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.79 -33.66 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.2 mt -77.06 -35.16 56.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -106.2 70.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -171.33 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -79.13 148.6 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -71.46 -61.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -76.43 131.85 39.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.2 mt -135.03 108.19 7.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.2 82.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.62 147.44 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 m -121.22 91.52 3.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.33 158.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -121.7 165.24 16.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -63.94 97.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.741 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.18 31.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.32 -42.75 1.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.568 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 69.41 -63.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.742 0.306 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 tp 65.43 80.93 0.22 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.93 -42.95 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.689 2.259 . . . . 0.0 112.245 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -167.15 -58.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.71 171.98 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -64.84 -34.34 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.5 t -76.02 162.5 28.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 78.3 p -100.5 31.72 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.6 p -152.5 114.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -97.79 -31.51 12.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.84 124.75 25.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.7 p -139.61 60.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm 60.02 76.52 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -111.31 -31.68 6.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.53 137.42 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -147.45 123.65 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t 60.52 88.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.92 106.34 16.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.5 p -82.49 -177.17 6.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.97 -67.67 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.03 114.59 3.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.541 2.16 . . . . 0.0 112.296 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 t -115.11 96.98 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -96.46 100.82 12.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.444 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -81.41 127.76 33.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.804 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 p -111.92 134.46 53.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.29 30.71 0.37 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -144.17 32.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 t -75.02 155.77 36.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.46 94.12 1.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.462 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.35 124.24 46.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.48 -45.68 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -129.96 135.83 48.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.4 p -75.08 -76.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -113.8 132.63 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -129.6 -41.05 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.38 171.5 9.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mt -149.38 127.48 12.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.05 155.84 27.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 63.3 111.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.87 153.77 0.45 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.97 -138.25 10.02 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -133.38 89.9 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.56 128.08 53.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -107.64 114.77 28.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.35 122.49 42.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -112.34 90.82 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -77.49 120.4 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -117.11 117.25 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.05 93.44 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.029 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.6 mt -58.04 132.94 54.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.16 92.48 1.65 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.693 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.77 76.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 111.166 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 54.03 37.24 57.99 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.867 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -175.93 0.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 0.0 110.782 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -122.39 164.24 18.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.6 mt -91.74 -41.84 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.6 43.35 29.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.7 mt -117.7 133.64 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 m -94.34 78.66 3.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.2 pt -77.06 159.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -138.68 166.97 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.8 158.58 25.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.553 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.08 -177.71 47.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.28 -32.28 70.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -46.11 75.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -85.93 4.23 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.376 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.25 44.85 94.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.563 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.5 tp -139.24 155.77 47.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.86 -163.0 4.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.9 mm -114.07 105.95 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -112.07 179.17 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mt -127.32 132.42 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -143.26 41.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.71 149.39 11.94 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.27 96.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.35 111.15 4.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.05 108.13 0.26 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.45 2.1 . . . . 0.0 112.299 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.7 30.11 4.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.2 p -107.59 165.23 11.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.14 -32.0 70.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.37 -35.74 54.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.72 -34.91 76.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.87 57.11 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 t -62.62 -44.77 95.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.87 35.73 0.88 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.1 mt -90.04 127.63 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.5 175.35 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.6 m -86.0 172.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.06 14.66 80.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.736 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.6 173.38 7.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.79 111.52 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.9 mt -74.75 106.56 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.4 mt -73.93 -65.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -144.42 153.86 42.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.42 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.4 t -131.62 127.28 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 60.33 31.23 20.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.82 30.13 64.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -127.65 141.42 51.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 m -63.17 128.39 35.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.42 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -122.3 30.44 6.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.5 mt -95.08 -55.98 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -98.3 38.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.989 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.3 tt -96.77 150.77 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.66 154.85 41.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.35 -36.4 82.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -73.96 -34.93 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.73 -34.07 69.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.8 -31.75 72.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.63 -43.32 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -68.6 -31.25 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 25.5 tp -80.08 -31.37 39.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.9 mt -81.65 -33.62 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.37 68.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.03 -62.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 m -69.91 132.16 45.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -74.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -69.96 124.24 23.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 65.5 mt -127.32 114.58 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.0 mt -110.32 91.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.3 mp -83.61 155.52 23.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.66 95.32 3.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.44 143.72 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -106.63 164.1 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.36 115.97 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.56 -32.48 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.05 115.69 4.73 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -58.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -89.48 145.24 33.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.81 103.5 1.66 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.518 2.146 . . . . 0.0 112.276 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -170.47 173.39 5.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -146.56 30.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.86 69.06 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.8 p -133.71 123.5 25.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.18 -64.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.08 -47.72 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -113.42 -176.76 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.86 35.25 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.3 m -111.99 -37.25 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -70.44 134.0 47.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -139.03 109.94 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.5 pt -61.6 146.27 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -105.01 -43.74 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.8 m -148.94 89.01 1.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.0 m -116.09 -48.5 2.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.8 m -132.49 116.91 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.03 163.38 12.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.428 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.08 62.76 2.55 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.494 2.13 . . . . 0.0 112.328 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.4 m -90.99 -31.66 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.7 t -83.45 -31.2 26.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.519 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -150.67 168.57 23.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 p -115.46 -39.47 3.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.31 -171.89 28.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -149.55 96.22 2.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.84 129.86 34.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.68 72.56 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.563 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.13 -75.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.835 0.35 . . . . 0.0 111.0 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? 61.53 155.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.61 165.85 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -58.8 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.41 36.44 20.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -166.37 101.99 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -117.78 153.84 32.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.56 159.43 26.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.71 131.43 55.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -146.0 153.14 40.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.89 95.27 1.88 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.534 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.82 -132.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.28 127.92 33.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.771 0.32 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -108.3 128.99 55.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -112.37 122.4 47.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.41 148.04 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.7 88.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -80.67 143.8 32.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.8 mt -146.28 132.64 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.44 92.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.53 155.54 29.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.6 -95.25 1.84 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.577 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -130.12 108.48 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.69 27.41 73.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.623 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 mmt85 -79.83 177.35 8.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.745 0.307 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m -150.2 167.35 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.9 mt -86.34 -35.54 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.72 33.01 58.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -106.3 149.97 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -113.53 84.62 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 pt -84.67 163.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.69 179.36 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.61 174.68 12.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.12 179.55 48.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.393 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.73 66.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 111.075 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -34.23 73.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -97.18 13.58 28.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.293 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 53.56 31.57 44.67 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.709 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.0 tp -124.2 134.74 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.63 -166.83 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mm -109.1 101.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.411 ' CD2' ' HG2' ' A' ' 69' ' ' GLN . 83.7 m-85 -101.35 -174.99 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.435 HG22 HD13 ' A' ' 50' ' ' ILE . 32.0 mt -134.41 135.4 54.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 p -147.47 36.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.99 137.77 3.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.582 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.13 119.7 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.41 137.05 55.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.67 113.4 3.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.552 2.168 . . . . 0.0 112.364 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.15 -27.47 8.55 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -58.92 170.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.0 -44.37 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.41 70.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -32.75 63.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.59 -28.43 43.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.581 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.66 -55.5 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.59 56.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mt -107.32 171.79 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.82 -179.71 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.9 m -98.62 102.11 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.82 -20.51 2.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.619 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -55.81 151.45 11.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.871 0.367 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.411 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 14.0 tm0? -112.85 107.01 15.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.72 109.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.9 mt -74.22 -48.96 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.28 161.73 37.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.422 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.9 t -140.96 127.12 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 60.39 31.25 20.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.67 28.25 63.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 ttt-85 -125.08 137.32 54.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.325 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.73 123.66 19.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.422 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.3 m-85 -110.89 31.01 6.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 mt -100.35 -41.57 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -111.89 32.97 5.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 tt -94.4 145.46 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.99 154.8 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -64.1 -54.22 37.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -64.28 -34.41 78.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.15 -34.93 79.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.16 83.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.22 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -35.01 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.785 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.3 tp -76.09 -41.8 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.31 -31.87 62.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -108.31 73.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.5 t -175.94 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.6 152.31 42.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -32.9 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.05 124.1 49.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.6 mt -130.69 118.03 20.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.13 72.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.07 132.03 47.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 m -113.29 92.28 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.3 m -91.92 163.97 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.34 154.11 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.84 108.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.53 -34.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.4 114.45 4.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.74 178.49 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.8 mt -135.55 119.3 12.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.53 -20.25 41.57 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.506 2.137 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 64.69 -172.51 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.64 120.98 26.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.03 -44.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.56 173.71 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.2 p -89.61 163.96 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.1 p -97.78 142.98 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.66 175.75 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.92 78.58 8.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.7 p -102.79 40.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -98.62 136.75 38.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.414 ' HA ' ' CE3' ' A' ' 118' ' ' TRP . 0.0 OUTLIER 59.63 92.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.2 pt -118.03 -39.99 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.84 161.15 37.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.6 p -117.32 178.59 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.994 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.34 156.61 45.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 p -74.88 -31.66 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.5 77.09 0.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.89 -179.97 3.35 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.586 2.191 . . . . 0.0 112.267 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.5 t -77.53 102.04 6.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.1 m -87.55 -57.55 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.55 91.34 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -110.38 -35.82 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.82 -86.33 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 t -142.42 162.52 35.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.98 156.85 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.72 -139.56 2.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -151.74 -57.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.14 120.63 9.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.71 34.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -113.6 59.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.25 31.31 5.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mp -108.83 88.96 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -154.62 170.64 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mt -124.2 108.82 12.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tp -106.28 80.44 1.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -146.88 178.85 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 149.13 -54.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.6 28.95 11.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.75 119.39 26.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -83.51 136.78 34.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -95.72 132.38 40.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -112.99 137.54 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 t -127.75 92.06 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -80.75 127.12 32.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.8 mt -129.98 130.48 45.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.55 106.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.8 mt -91.19 127.88 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.09 -88.4 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.569 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -101.33 39.96 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.12 59.07 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -76.81 -5.17 47.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.629 0.252 . . . . 0.0 111.441 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m 59.0 169.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.823 0.344 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.1 mt -89.65 -62.41 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.53 40.6 2.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mt -124.65 148.0 48.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 m -104.25 90.89 3.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.0 pt -84.46 137.11 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 ptt85 -121.35 158.96 27.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.58 148.27 8.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -164.75 -175.56 35.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.65 -30.4 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.078 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -32.74 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -95.07 16.41 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.253 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.01 26.33 19.12 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.745 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.8 tp -130.5 146.94 52.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.11 -179.29 21.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.2 mm -91.51 117.67 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -115.12 -177.58 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.0 mt -130.97 140.35 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.5 t -163.09 43.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.4 146.74 11.99 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -148.94 115.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.74 0.305 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.41 129.37 92.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.55 103.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.417 2.078 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.65 70.58 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 p -130.22 179.5 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.17 -51.6 65.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.14 69.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -70.2 -36.2 74.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.37 -39.85 21.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -69.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.91 61.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.4 mt -123.21 122.39 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.63 -174.91 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.5 m -95.16 136.88 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.1 -27.86 9.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -60.26 156.32 15.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.306 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -117.29 122.86 45.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.416 HD12 HG23 ' A' ' 70' ' ' ILE . 32.3 mt -77.95 133.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.88 -48.4 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -160.88 159.59 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.82 126.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 60.38 31.28 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.76 27.39 67.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.07 146.16 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -74.64 118.0 17.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -109.15 29.78 7.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.0 mt -94.14 -51.61 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.769 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -107.84 31.53 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 tt -84.71 147.54 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -74.07 155.33 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -62.9 -42.93 99.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.18 -40.15 74.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -63.28 -45.88 89.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.0 72.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 t -77.09 -46.94 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -66.44 -44.57 82.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.64 -32.79 74.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 mt -81.31 -21.17 39.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.93 57.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -158.74 -57.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -59.05 173.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.16 -35.5 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -108.76 116.79 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.851 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.9 mt -122.92 103.32 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.3 mt -107.77 77.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mp -66.96 144.26 56.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 m -120.05 91.67 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 31.3 m -104.43 159.64 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -107.38 141.73 38.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.69 97.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.79 113.65 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 82.18 15.14 75.26 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.825 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.71 103.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.915 0.388 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.05 145.99 50.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.62 114.13 3.85 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.54 2.16 . . . . 0.0 112.396 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -76.91 143.74 39.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 163.12 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 60.61 86.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.98 -48.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 t -91.94 64.66 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.52 157.51 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.73 177.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -106.54 61.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 p -116.57 31.63 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -133.82 119.49 19.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -162.18 110.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.5 tt -132.75 122.56 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -102.19 178.38 4.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.3 m -151.32 117.83 5.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 m -77.28 -47.64 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.5 p -170.86 -46.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 130.48 94.71 0.7 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.08 131.74 24.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.427 2.084 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m 61.03 97.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 54.1 p -123.24 32.03 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.568 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -122.91 -67.61 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -108.65 -34.08 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.09 -158.53 49.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 p -96.0 147.72 23.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.7 p -147.58 -51.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.9 178.54 23.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -146.98 146.28 30.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 61.36 113.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.92 -175.61 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.0 m -122.86 37.52 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 p -79.49 154.78 28.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.43 -52.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.3 m80 60.61 -177.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -94.17 168.52 10.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.78 -177.4 5.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -127.83 -58.31 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.85 -59.67 4.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.614 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.08 178.61 40.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.09 162.18 18.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.74 122.11 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -102.11 149.42 24.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 142.33 50.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.54 105.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -88.45 138.3 31.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.2 mt -131.89 129.9 40.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.7 t -102.41 109.02 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.4 mt -87.42 172.49 9.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 39.02 2.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.506 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 59.52 24.47 13.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 111.064 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.12 36.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.432 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.79 -178.39 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.352 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -139.83 157.15 46.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.09 -35.79 28.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.94 49.73 45.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -118.09 124.38 47.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.7 m -81.95 92.12 6.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.6 pt -92.71 152.01 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -141.24 141.56 33.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.44 147.43 22.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.68 -168.66 38.26 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.03 -39.32 90.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -63.34 -38.66 92.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -93.94 4.2 54.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.59 43.82 94.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.604 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.3 tp -145.77 157.32 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.37 -178.27 24.09 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.543 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.36 118.73 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.413 ' CD1' ' HG2' ' A' ' 69' ' ' GLN . 70.2 m-85 -125.88 -175.02 3.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.5 mt -135.08 140.09 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.7 p -144.5 29.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.04 151.3 10.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.593 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.52 121.06 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.02 110.16 2.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.71 99.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.433 2.089 . . . . 0.0 112.286 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.69 30.23 4.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.531 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.7 p -100.81 178.16 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.17 -31.83 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.66 -42.36 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.193 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -66.66 -35.47 80.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.19 -30.29 71.84 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.563 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.4 t -67.64 -57.59 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.96 49.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mt -105.0 170.3 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 178.47 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.96 144.39 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.31 -23.13 32.67 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.543 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.58 156.46 8.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.413 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 20.1 tm0? -122.07 116.44 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 36.1 mt -73.44 120.91 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.6 mt -89.46 -65.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 pm0 -140.26 153.99 46.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.98 125.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 60.57 30.7 19.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.59 27.98 56.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.84 128.82 50.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.3 m -67.64 110.31 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.407 ' CD2' HG22 ' A' ' 81' ' ' ILE . 3.5 m-85 -95.43 67.7 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 mt -120.42 -42.03 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -115.93 37.82 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.407 HG22 ' CD2' ' A' ' 78' ' ' PHE . 2.3 tt -96.54 143.17 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.053 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.59 159.37 18.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -65.56 -45.58 82.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.23 -38.89 78.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -60.21 -38.26 82.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.68 81.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.062 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.91 -42.35 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -69.05 -44.22 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.7 tp -65.0 -37.77 88.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.7 mt -73.91 -33.64 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.37 67.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -160.78 -46.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -84.87 -175.24 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.29 -74.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -70.91 108.83 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.32 107.65 15.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.9 83.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.86 140.77 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -120.61 96.26 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.87 171.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -137.43 167.83 20.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -65.72 94.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.6 t -118.69 -39.97 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -97.68 -14.87 39.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.792 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -55.87 107.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.369 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -164.65 130.09 2.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.786 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.76 -169.1 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.454 2.103 . . . . 0.0 112.313 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -133.36 174.95 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.6 171.23 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -114.05 91.46 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.3 t -138.33 157.68 45.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.98 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.05 146.36 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.24 -47.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -101.39 60.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.6 t -88.22 -30.6 19.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -59.4 112.67 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -164.38 -44.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.41 93.11 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.1 88.68 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.3 p -67.71 -61.1 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.9 t -105.38 147.45 28.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 p -151.81 107.74 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.2 -75.09 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.05 -10.34 28.1 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.584 2.19 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.9 t -56.96 -31.49 65.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -91.88 -57.66 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.527 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -141.75 116.61 9.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -89.15 111.97 22.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.496 HG13 ' OG ' ' A' ' 62' ' ' SER . 21.5 t -100.61 98.54 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -93.14 121.77 34.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' ' 62' ' ' SER . 21.7 mt -124.17 144.14 50.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.75 116.87 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.342 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.96 HD11 HD13 ' A' ' 96' ' ' LEU . 4.8 mt -91.05 -32.65 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.19 32.45 76.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.749 HD11 ' HB1' ' A' ' 59' ' ' ALA . 86.7 mt -108.55 125.88 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 m -84.46 85.09 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.7 pt -76.51 153.42 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 168.46 18.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.48 ' CA ' HD23 ' A' ' 46' ' ' LEU . . . 81.27 164.97 33.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.86 172.82 41.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.414 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.36 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.056 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.28 -36.29 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -95.85 -31.1 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.45 28.24 7.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.48 HD23 ' CA ' ' A' ' 40' ' ' GLY . 43.4 tp -120.01 152.23 37.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.19 -176.12 8.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -102.96 96.31 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 6.3 m-85 -107.17 -176.93 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 68' ' ' ASP . 2.0 mp -128.95 134.57 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 p -140.56 35.42 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -175.77 135.25 2.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.1 t -135.51 125.16 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.76 141.84 87.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.94 81.88 2.1 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.554 2.17 . . . . 0.0 112.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.45 40.73 0.92 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.534 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -102.39 179.72 4.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.32 -29.83 57.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.749 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -75.94 -32.25 59.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.5 -45.55 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.15 -43.93 98.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.547 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.612 ' HB2' HD21 ' A' ' 26' ' ' LEU . 10.1 t -60.17 -40.42 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.12 41.02 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -105.52 132.74 51.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.93 177.34 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 52' ' ' GLY . 29.2 m -68.4 153.98 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.55 -28.29 13.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.562 ' O ' HD12 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -61.09 149.05 38.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.939 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.3 tm0? -115.19 111.41 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.775 ' HA ' HG12 ' A' ' 100' ' ' VAL . 38.2 mt -73.41 113.79 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.97 -62.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.64 158.25 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.06 130.32 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.78 30.79 19.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.41 28.34 66.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 131.61 53.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.7 m -63.6 113.5 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.464 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 2.5 m-85 -98.72 30.49 3.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -92.41 -31.57 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -126.06 37.35 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.98 137.8 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.58 161.18 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.75 ' O ' HG23 ' A' ' 87' ' ' VAL . 62.6 t60 -69.78 -51.97 29.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -65.91 -31.8 72.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.68 -34.28 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.16 63.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 83' ' ' HIS . 29.2 t -79.7 -30.98 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -87.31 -41.33 13.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.464 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 51.7 tp -59.76 -31.05 69.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.572 ' O ' HD11 ' A' ' 96' ' ' LEU . 16.9 mt -76.25 -34.8 59.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -98.31 36.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 t -133.28 -47.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 t -75.43 146.98 40.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.37 -62.81 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.3 100.84 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.96 HD13 HD11 ' A' ' 34' ' ' LEU . 57.9 mt -94.46 109.07 20.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.17 74.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.455 HD11 HD22 ' A' ' 90' ' ' LEU . 1.9 mp -70.19 115.29 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.4 m -102.94 89.41 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.775 HG12 ' HA ' ' A' ' 70' ' ' ILE . 26.8 m -102.63 164.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -113.37 157.27 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -103.35 114.52 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.58 140.15 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.93 84.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -70.17 110.53 5.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.658 HD21 ' HB2' ' A' ' 62' ' ' SER . 52.9 mt -118.15 126.79 52.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.6 t -104.29 90.88 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.929 HD11 HD11 ' A' ' 96' ' ' LEU . 72.2 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.648 ' CD1' HD22 ' A' ' 90' ' ' LEU . 14.1 mt -92.29 -47.78 7.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.19 30.65 12.04 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.559 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 52' ' ' GLY . 39.4 mt -110.0 145.35 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 m -105.28 78.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 pt -72.05 166.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.46 163.52 36.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.64 170.74 46.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.48 168.17 34.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.406 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.65 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.92 -61.87 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -62.09 -29.09 70.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.68 27.46 7.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.407 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.429 HD11 ' HE2' ' A' ' 49' ' ' TYR . 53.6 tp -130.37 147.86 52.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.49 -148.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.411 HD11 HG23 ' A' ' 81' ' ' ILE . 27.6 mm -125.12 123.95 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.429 ' HE2' HD11 ' A' ' 46' ' ' LEU . 92.5 m-85 -129.21 -177.43 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG21 HD22 ' A' ' 36' ' ' LEU . 32.1 mt -132.21 141.1 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.7 p -153.7 40.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.638 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -169.12 143.18 7.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.444 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.47 118.44 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 0.0 111.02 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.25 143.98 83.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.42 102.87 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.561 2.174 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.63 34.61 7.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.6 p -96.58 168.74 10.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -68.19 -31.62 71.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.9 -35.5 67.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -72.59 -31.1 64.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.89 -43.9 90.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.571 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.658 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -60.24 -49.18 78.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.25 44.23 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.528 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.0 148.87 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.815 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.84 173.73 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -86.97 133.13 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.82 -19.66 23.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.42 149.53 13.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 110.996 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -107.92 110.64 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.415 ' HA ' HG12 ' A' ' 100' ' ' VAL . 27.5 mt -73.78 112.62 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.69 -61.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -143.54 160.8 39.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.64 126.81 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.8 m120 60.41 35.88 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.99 28.17 67.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.436 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -132.67 130.7 40.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.27 137.64 58.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.6 m-85 -120.58 31.27 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.34 -57.47 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -98.24 35.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 48' ' ' ILE . 3.6 tt -92.76 137.9 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.7 164.33 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.408 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.4 t60 -73.49 -31.55 63.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.13 -39.62 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -62.23 -34.52 76.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -65.55 -31.13 72.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 83' ' ' HIS . 21.5 t -82.7 -51.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -60.48 -34.38 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.634 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 17.1 tp -78.48 -31.18 47.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.648 HD22 ' CD1' ' A' ' 34' ' ' LEU . 20.7 mt -82.5 -33.07 28.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.08 75.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -176.91 -43.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.523 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -81.75 154.45 25.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -76.7 -61.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -90.43 123.29 34.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.929 HD11 HD11 ' A' ' 28' ' ' LEU . 8.7 mt -122.57 103.79 8.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.0 mt -99.59 89.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.56 158.07 24.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.1 m -130.21 85.11 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 70' ' ' ILE . 15.9 m -100.1 148.71 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.05 175.28 5.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.904 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -89.99 147.27 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -128.92 122.77 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.438 HG11 ' HG ' ' A' ' 64' ' ' LEU . 21.5 t -119.57 90.75 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -81.64 128.05 33.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 62' ' ' SER . 50.4 mt -137.9 128.52 26.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 t -105.42 124.89 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.663 HD11 HD11 ' A' ' 96' ' ' LEU . 60.9 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.798 0.333 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 96' ' ' LEU . 14.0 mt -65.59 -48.81 71.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.54 35.38 8.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.628 HD11 HD13 ' A' ' 64' ' ' LEU . 91.2 mt -111.95 130.15 55.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -91.84 84.71 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 pt -70.09 169.77 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HG3' HG21 ' A' ' 51' ' ' THR . 0.0 OUTLIER -140.84 176.92 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.46 -174.76 7.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.04 179.85 38.53 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.59 76.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -47.13 70.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -71.01 -30.09 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.59 33.12 7.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.434 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.5 tp -135.7 155.28 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.42 -166.08 1.07 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.6 mm -117.18 89.15 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -90.16 -174.99 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 37.4 mt -131.99 114.9 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.414 HG21 ' HG3' ' A' ' 39' ' ' ARG . 4.2 t -132.57 47.78 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.37 134.45 3.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.41 96.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.82 148.21 92.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 122.12 8.38 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.497 2.132 . . . . 0.0 112.287 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.87 34.18 43.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.0 p -95.53 161.73 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.56 -31.86 71.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.45 75.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -69.46 -31.49 69.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.51 -37.06 53.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.517 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.12 -68.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.25 44.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.628 HD13 HD11 ' A' ' 36' ' ' LEU . 53.5 mt -109.46 101.45 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -97.17 -172.66 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.6 m -84.63 147.1 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.24 -29.08 12.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.59 119.41 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -89.31 113.75 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' ' 100' ' ' VAL . 40.2 mt -73.33 113.8 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt -83.77 -40.21 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pm0 -161.08 159.09 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.431 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.5 t -146.32 128.15 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 60.37 30.92 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.3 27.69 57.22 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.599 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -129.06 136.6 50.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -67.17 117.61 9.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.6 m-85 -103.72 30.09 5.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.2 mt -102.37 -31.04 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -122.81 33.68 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.5 tt -97.76 154.03 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.66 155.66 40.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.556 ' O ' HG23 ' A' ' 87' ' ' VAL . 2.8 t60 -63.45 -55.32 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.71 -41.15 97.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.92 -33.12 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.89 -33.86 62.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 83' ' ' HIS . 20.0 t -79.92 -29.52 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -31.7 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.7 tp -76.83 -34.48 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 34' ' ' LEU . 17.5 mt -77.07 -31.21 55.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -103.22 42.83 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.0 t -141.63 -50.63 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 t -76.57 140.46 41.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -66.89 -54.35 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -83.44 135.41 34.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.663 HD11 HD11 ' A' ' 28' ' ' LEU . 18.4 mt -137.37 122.28 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.559 HD12 ' N ' ' A' ' 97' ' ' ILE . 3.5 mp -129.92 82.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.515 HD23 HD13 ' A' ' 70' ' ' ILE . 5.3 mp -75.48 151.96 37.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.1 m -127.12 88.05 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' ' 70' ' ' ILE . 28.9 m -100.33 158.91 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 162.75 14.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.773 0.32 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -126.8 162.46 25.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.53 135.11 42.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.565 HG13 ' OG ' ' A' ' 62' ' ' SER . 21.4 t -123.2 90.51 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -76.64 119.21 20.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 34' ' ' LEU . 72.8 mt -123.0 137.05 55.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.23 108.96 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 96' ' ' LEU . 3.3 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.519 ' CD2' HD12 ' A' ' 26' ' ' LEU . 8.7 mt -79.52 -35.96 39.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.88 40.79 93.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.526 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' HB1' ' A' ' 59' ' ' ALA . 19.7 mt -116.36 137.12 52.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 m -94.74 85.92 4.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.8 pt -72.06 151.76 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -133.62 156.19 48.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.8 150.85 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -159.12 171.54 35.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -60.91 -30.22 70.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 111.071 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -73.07 -30.7 63.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -95.26 18.84 11.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.259 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.06 26.07 18.88 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.781 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 tp -130.1 138.93 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.26 -176.04 2.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 70' ' ' ILE . 30.3 mm -98.41 115.25 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -119.34 -175.71 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.2 mt -127.09 143.23 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.453 ' HA ' HG12 ' A' ' 66' ' ' VAL . 4.7 t -157.18 42.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -173.62 139.84 5.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.514 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.31 109.75 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 111.085 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.98 145.44 53.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.72 136.08 22.7 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.516 2.144 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.6 31.08 51.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.7 p -107.33 150.48 26.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.735 0.303 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -32.04 72.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' A' ' 64' ' ' LEU . . . -72.47 -31.19 65.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.19 -31.17 65.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.4 -33.42 64.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.565 ' OG ' HG13 ' A' ' 24' ' ' VAL . 1.4 t -71.32 -38.48 71.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.71 39.83 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.627 HD13 ' HB1' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -88.84 120.29 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.83 178.81 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.574 HG12 ' N ' ' A' ' 52' ' ' GLY . 15.6 m -84.74 149.63 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.95 -26.35 23.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.91 151.91 20.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -118.61 116.97 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.53 HD12 HG22 ' A' ' 48' ' ' ILE . 32.6 mt -72.99 134.09 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.7 mt -104.01 -49.23 3.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -156.68 152.92 27.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.4 t -139.9 128.02 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 m120 60.47 31.23 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.78 27.9 59.98 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.51 134.93 54.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.84 109.98 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.45 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.6 m-85 -101.47 30.24 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.11 -31.66 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.429 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 9.1 p-10 -137.29 74.49 1.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.488 HD11 ' HG2' ' A' ' 85' ' ' GLU . 5.7 tt -127.16 150.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.7 mt -60.48 156.87 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.732 ' O ' HG23 ' A' ' 87' ' ' VAL . 85.6 t60 -66.49 -31.31 71.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -83.93 -42.47 16.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.488 ' HG2' HD11 ' A' ' 81' ' ' ILE . 16.5 tt0 -60.25 -36.88 78.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.04 84.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 83' ' ' HIS . 27.8 t -70.76 -53.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.94 -45.19 93.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.45 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 40.3 tp -64.68 -31.37 72.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.89 -35.34 57.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -107.7 58.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.1 t -148.68 -50.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -76.32 150.04 36.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -73.25 -45.43 55.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.0 112.77 24.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.582 ' CD1' HD11 ' A' ' 28' ' ' LEU . 16.0 mt -115.57 117.58 30.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mt -119.49 80.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.615 ' HA ' HG22 ' A' ' 73' ' ' VAL . 4.1 mp -68.95 141.14 55.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -114.68 92.71 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.24 143.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -100.01 164.73 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -128.33 110.65 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HG3' HG23 ' A' ' 99' ' ' THR . 3.2 mttt -95.74 140.86 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.472 HG11 ' HB3' ' A' ' 62' ' ' SER . 21.4 t -135.12 103.01 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -74.19 148.67 41.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.688 HD21 ' OG ' ' A' ' 62' ' ' SER . 59.9 mt -150.67 140.2 21.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.22 107.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.858 HD11 HD11 ' A' ' 96' ' ' LEU . 78.7 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.64 ' CD1' HD22 ' A' ' 90' ' ' LEU . 24.7 mt -87.91 -46.13 9.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.64 44.9 7.58 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD21 ' HB1' ' A' ' 59' ' ' ALA . 17.3 mt -119.87 133.46 55.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 m -93.18 72.44 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 87' ' ' VAL . 2.1 pt -70.09 150.35 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.79 145.9 36.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.518 ' HA3' HD23 ' A' ' 46' ' ' LEU . . . 88.01 155.55 29.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.38 -161.65 31.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 80' ' ' ASN . . . -62.74 -29.7 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 -49.1 74.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -96.75 18.16 15.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.04 26.08 18.81 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.762 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.518 HD23 ' HA3' ' A' ' 40' ' ' GLY . 8.7 tp -118.92 151.2 38.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.326 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.29 178.42 8.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.453 HD11 HG23 ' A' ' 81' ' ' ILE . 23.9 mm -95.47 94.73 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -99.61 -177.34 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.77 HD12 ' HB2' ' A' ' 68' ' ' ASP . 40.9 mt -129.8 156.08 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.444 ' N ' HG22 ' A' ' 50' ' ' ILE . 3.9 t -166.7 42.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.722 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 176.47 140.98 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.608 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.7 133.75 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -96.65 140.45 22.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.66 117.49 4.78 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.49 2.127 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.74 -24.76 18.78 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.695 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.2 p -57.72 171.75 0.44 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.809 0.338 . . . . 0.0 110.982 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.57 -38.6 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.682 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -66.28 -39.78 89.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -41.65 97.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.55 -37.52 78.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.688 ' OG ' HD21 ' A' ' 26' ' ' LEU . 1.2 m -61.44 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.2 45.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.4 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.6 126.5 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -116.09 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.722 HG12 ' N ' ' A' ' 52' ' ' GLY . 16.7 m -78.97 136.48 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.39 -24.73 25.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.578 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.77 ' HB2' HD12 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -58.06 144.47 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.97 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -108.62 130.16 55.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.3 mt -89.96 126.49 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.67 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -135.44 165.1 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.416 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.3 t -151.18 122.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 m120 60.15 31.15 20.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.99 28.21 50.72 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -129.17 130.78 46.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.66 118.01 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 4.2 m-85 -99.64 41.05 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.9 mt -93.57 -31.06 14.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 50.0 t30 -132.73 39.92 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.453 HG23 HD11 ' A' ' 48' ' ' ILE . 3.0 tt -94.1 146.63 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.84 161.86 6.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.441 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.8 t60 -77.68 -35.19 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -80.12 -31.53 39.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -74.31 -34.61 63.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.541 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -64.02 -30.87 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.483 HG13 ' HE2' ' A' ' 91' ' ' LYS . 21.5 t -85.4 -51.2 13.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -59.85 -41.85 92.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.86 -34.33 73.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.64 HD22 ' CD1' ' A' ' 34' ' ' LEU . 15.2 mt -77.51 -31.65 53.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.483 ' HE2' HG13 ' A' ' 87' ' ' VAL . 0.3 OUTLIER -110.38 75.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -177.12 -45.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.9 t -72.65 178.26 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -74.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -72.96 130.82 41.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.858 HD11 HD11 ' A' ' 28' ' ' LEU . 77.1 mt -133.58 116.3 15.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mt -122.5 93.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.16 145.66 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.449 HG23 ' HG3' ' A' ' 23' ' ' LYS . 1.8 m -120.74 82.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.5 m -90.17 163.56 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.15 172.89 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -117.75 138.66 51.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -108.69 129.18 55.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 96.76 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -80.85 128.76 34.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 62' ' ' SER . 74.7 mt -124.62 128.68 49.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.18 108.7 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 m . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.806 HD11 HD13 ' A' ' 96' ' ' LEU . 33.1 mt -100.4 -53.24 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.09 28.32 23.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.561 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD11 HD13 ' A' ' 64' ' ' LEU . 44.2 mt -105.05 140.94 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 51' ' ' THR . 18.5 m -104.59 80.36 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 pt -71.78 156.76 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -135.51 155.94 49.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.07 154.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.57 -113.2 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.22 -41.88 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.33 -46.65 89.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -78.11 -31.35 49.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.28 28.51 14.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.3 tp -120.93 148.18 44.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.42 164.21 20.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.437 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.682 HD11 HG23 ' A' ' 81' ' ' ILE . 24.7 mm -82.09 92.25 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 111.129 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.435 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 83.4 m-85 -101.67 178.07 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.667 HD12 ' HB2' ' A' ' 68' ' ' ASP . 31.2 mt -123.67 148.89 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.031 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.682 ' HA ' HG12 ' A' ' 66' ' ' VAL . 10.0 t -159.11 37.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.3 133.72 2.94 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 65' ' ' LYS . 21.6 t -137.85 97.73 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.072 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.04 110.27 2.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.36 118.47 5.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.462 2.108 . . . . 0.0 112.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.56 30.86 14.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.8 p -108.78 179.33 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -43.21 63.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.34 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.972 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HG3' HG12 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -65.68 -37.45 86.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.945 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.39 -28.01 71.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.583 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.438 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -69.64 -67.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.972 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.52 46.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.435 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.627 HD13 HD11 ' A' ' 36' ' ' LEU . 25.2 mt -112.62 109.24 18.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HA ' HG21 ' A' ' 53' ' ' VAL . 1.2 mptt -112.72 175.56 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 51' ' ' THR . 17.0 m -67.74 138.32 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.41 -25.38 19.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.667 ' HB2' HD12 ' A' ' 50' ' ' ILE . 5.9 m-20 -57.92 144.26 39.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.435 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -111.02 108.43 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.627 HD12 HG22 ' A' ' 48' ' ' ILE . 36.9 mt -73.31 114.56 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.5 mt -85.39 -46.94 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 pm0 -159.45 154.8 25.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.484 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.6 t -139.35 135.26 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 60.82 29.76 19.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.81 36.79 83.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.77 138.79 45.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -62.81 125.12 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -110.07 29.94 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -87.57 -56.88 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -98.46 32.24 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.682 HG23 HD11 ' A' ' 48' ' ' ILE . 1.1 tp -89.64 136.65 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.2 165.46 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.0 OUTLIER -73.14 -49.88 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -63.8 -31.37 72.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -74.86 -31.14 61.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.06 -34.23 66.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 83' ' ' HIS . 24.2 t -79.41 -31.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -31.52 27.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -77.6 -34.77 53.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.435 HD21 HG21 ' A' ' 73' ' ' VAL . 61.7 mt -78.34 -31.97 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -104.24 59.68 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.1 t -154.32 -61.01 0.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -67.28 155.34 39.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -32.01 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -104.29 99.91 9.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.806 HD13 HD11 ' A' ' 34' ' ' LEU . 21.9 mt -108.43 109.88 21.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.7 mt -107.68 72.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.037 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.484 ' HA ' HG22 ' A' ' 73' ' ' VAL . 2.8 mp -60.39 147.17 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.9 m -123.51 87.1 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.1 m -104.39 157.37 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -106.06 156.54 18.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 p30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.961 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.834 0.349 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -97.32 122.88 40.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 136.72 44.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -128.1 89.32 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 p-10 -79.1 99.95 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.1 mt -108.71 127.63 54.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.92 126.59 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.2 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.733 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.619 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.3 mt -61.89 -36.08 80.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.14 53.19 7.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -133.33 158.47 42.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.1 m -114.26 89.26 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 pt -70.01 166.59 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -138.06 177.64 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.35 -161.63 25.7 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.76 -173.07 27.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.71 -35.25 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.073 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.22 -31.7 70.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -99.98 -31.17 11.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.76 32.44 6.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.6 tp -125.04 155.47 39.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.33 177.72 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.614 HG22 HD12 ' A' ' 70' ' ' ILE . 26.8 mm -104.74 92.41 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -96.39 -178.56 4.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.5 mt -127.07 126.36 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.559 ' HA ' HG12 ' A' ' 66' ' ' VAL . 30.6 p -138.83 39.86 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.403 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -160.82 135.8 4.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.19 115.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -91.61 139.07 24.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.68 116.39 4.45 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.531 2.154 . . . . 0.0 112.317 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.92 33.38 5.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.584 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 p -115.85 169.16 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.71 -37.04 83.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.42 69.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.94 -31.47 71.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.83 -29.51 34.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -68.96 -49.79 54.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.63 44.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mt -105.81 125.06 50.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.52 173.61 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 51' ' ' THR . 11.9 m -78.2 137.87 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.01 -28.3 8.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.419 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.31 151.82 35.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -113.19 118.94 36.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.614 HD12 HG22 ' A' ' 48' ' ' ILE . 39.4 mt -73.54 113.06 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.6 mt -78.95 -56.29 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -154.05 162.06 41.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.5 t -137.17 122.2 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.17 33.63 21.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.42 27.65 61.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.404 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.14 124.39 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.83 119.62 11.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.758 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.2 m-85 -98.6 33.69 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.3 mt -82.82 -54.05 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.406 HD21 ' C ' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -104.43 43.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.543 HD13 ' CE2' ' A' ' 78' ' ' PHE . 16.1 tt -97.31 146.75 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.08 149.26 41.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.728 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.2 t60 -60.26 -45.93 91.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.06 -38.77 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -63.51 -43.43 97.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.35 80.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 83' ' ' HIS . 28.2 t -67.45 -45.32 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -68.9 -47.62 65.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.758 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 48.0 tp -59.81 -31.56 69.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.619 HD22 ' CD1' ' A' ' 34' ' ' LEU . 20.3 mt -85.42 -30.67 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.26 69.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -177.0 -44.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.52 165.79 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -83.05 -75.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.62 128.59 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.557 HD13 HD11 ' A' ' 34' ' ' LEU . 91.6 mt -130.84 102.57 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.5 mt -100.89 85.46 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.27 146.41 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.0 m -122.65 85.5 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.26 143.1 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.19 159.96 14.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -113.58 142.2 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HD3' HG21 ' A' ' 97' ' ' ILE . 1.1 ttmp? -115.36 139.84 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.64 108.6 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -87.31 122.66 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.7 mt -120.34 106.8 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.46 116.59 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.472 HD11 HD12 ' A' ' 96' ' ' LEU . 31.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 96' ' ' LEU . 2.9 mt -112.97 -50.74 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.828 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.44 49.61 2.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.443 HD21 ' HB1' ' A' ' 59' ' ' ALA . 1.8 mt -134.23 131.81 38.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -96.42 89.0 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -72.19 168.46 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -141.12 169.2 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.41 166.03 4.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.535 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.53 -168.19 38.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.69 -36.6 57.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.89 -51.95 67.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -76.27 -29.63 57.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.89 29.58 9.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.2 tp -122.32 159.1 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.476 ' O ' HD13 ' A' ' 48' ' ' ILE . . . -66.04 -149.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.689 HG22 HD12 ' A' ' 70' ' ' ILE . 25.3 mm -129.99 92.93 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.745 0.307 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 69' ' ' GLN . 97.2 m-85 -91.19 -176.81 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 68' ' ' ASP . 32.0 mt -132.35 119.4 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -133.4 46.57 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.71 143.17 7.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.596 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.454 HG12 ' OE1' ' A' ' 60' ' ' GLU . 21.8 t -152.41 121.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.57 145.68 75.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.25 110.03 2.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.519 2.146 . . . . 0.0 112.371 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.52 34.92 34.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.3 p -94.12 173.92 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.18 -38.11 89.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -74.51 -31.58 62.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' OE1' HG12 ' A' ' 53' ' ' VAL . 2.9 tp10 -69.16 -33.21 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.81 -44.42 38.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t -60.62 -39.76 89.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.67 40.46 0.46 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.33 109.05 20.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -112.77 176.14 5.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.63 152.15 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.95 26.76 21.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.604 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.741 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -111.42 153.44 26.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.431 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 5.8 tm0? -120.43 111.78 18.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.689 HD12 HG22 ' A' ' 48' ' ' ILE . 14.6 mt -75.0 135.08 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -101.85 -51.24 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 pm0 -152.61 156.89 40.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -138.81 123.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 60.8 30.61 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.53 28.4 55.37 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.6 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -123.28 135.21 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.49 115.19 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -104.06 30.87 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 mt -92.18 -43.21 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -116.66 36.01 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 tt -91.86 148.98 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.67 151.74 37.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 87' ' ' VAL . 6.9 t60 -66.18 -41.12 90.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.27 -37.46 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.8 -37.32 87.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.37 -31.25 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.042 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 83' ' ' HIS . 30.5 t -83.46 -38.11 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -73.58 -40.67 63.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.3 tp -69.4 -38.15 77.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.8 mt -72.15 -32.7 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -106.83 71.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 t -176.01 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.92 158.23 28.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.34 -62.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.32 125.05 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.639 HD13 HD11 ' A' ' 34' ' ' LEU . 12.7 mt -133.04 112.14 11.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.48 HG21 ' HD3' ' A' ' 23' ' ' LYS . 15.0 mt -113.02 86.5 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 mp -80.3 134.72 36.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.2 m -111.89 91.29 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.657 HG12 ' HA ' ' A' ' 70' ' ' ILE . 23.5 m -101.23 169.33 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -118.91 157.4 27.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.821 0.343 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -103.9 133.77 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.94 150.87 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.96 97.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -75.67 112.45 12.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.3 mt -118.06 117.75 30.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.25 127.03 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.925 HD11 HD13 ' A' ' 96' ' ' LEU . 3.8 mt -96.36 -51.47 4.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.64 30.08 7.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.464 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD11 HD13 ' A' ' 64' ' ' LEU . 27.0 mt -104.15 124.37 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -93.98 78.42 4.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.425 HG21 HD12 ' A' ' 70' ' ' ILE . 4.7 pt -69.96 164.12 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -137.07 176.28 8.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.436 ' HA3' HD23 ' A' ' 46' ' ' LEU . . . 61.65 170.13 0.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.601 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.55 -168.56 38.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.41 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.28 -55.37 8.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 111.083 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.08 -37.96 81.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -71.38 -30.08 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.15 30.27 14.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.401 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.436 HD23 ' HA3' ' A' ' 40' ' ' GLY . 32.2 tp -138.82 151.68 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.817 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.57 -178.09 4.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.545 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -101.87 95.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -101.42 -175.01 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mt -127.2 144.02 38.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.5 t -159.02 47.63 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.602 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 175.54 138.67 2.87 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.568 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 60' ' ' GLU . 21.5 t -142.83 105.53 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.073 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.9 110.74 3.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.43 122.99 11.15 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.458 2.105 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.92 32.26 30.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.8 p -104.8 -174.99 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -78.1 -31.51 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 64' ' ' LEU . . . -76.62 -33.13 58.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' HB2' HG12 ' A' ' 53' ' ' VAL . 1.6 tt0 -75.71 -34.47 60.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.15 -28.41 73.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.55 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.87 -65.63 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.03 55.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.619 HD13 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -110.64 121.47 45.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.68 -178.52 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 52' ' ' GLY . 8.1 m -95.79 129.02 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.13 -27.64 5.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.41 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.57 158.63 9.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -116.16 121.11 41.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 38' ' ' ILE . 30.4 mt -76.79 103.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.647 HD11 ' HB3' ' A' ' 101' ' ' LYS . 12.9 mt -67.99 -52.96 29.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.15 159.53 34.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.19 131.56 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.27 31.12 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.28 28.22 72.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -117.62 140.12 50.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -66.57 128.88 37.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.778 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 4.5 m-85 -122.71 30.86 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.5 mt -93.2 -52.82 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -104.99 31.45 4.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 tt -90.18 148.51 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.61 150.06 47.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.78 ' O ' HG23 ' A' ' 87' ' ' VAL . 2.1 t60 -62.51 -41.59 98.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.42 -41.58 80.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -65.47 -33.3 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -70.75 -30.98 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 83' ' ' HIS . 26.7 t -77.66 -36.46 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -40.89 27.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.778 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 29.0 tp -60.13 -40.19 88.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 86' ' ' ALA . 10.3 mt -72.05 -31.39 66.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -108.59 77.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.5 t -176.81 -45.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.58 165.57 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.7 mmt-85 -90.33 -65.95 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -79.95 103.37 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.925 HD13 HD11 ' A' ' 34' ' ' LEU . 35.1 mt -107.76 106.38 16.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.2 86.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.17 147.04 36.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.1 m -125.62 88.13 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.53 148.73 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.647 ' HB3' HD11 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -102.76 168.23 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -129.06 121.09 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HD3' HG21 ' A' ' 97' ' ' ILE . 27.5 mttt -93.85 143.62 26.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.23 84.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -69.99 128.54 36.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.712 HD21 ' HB3' ' A' ' 62' ' ' SER . 76.8 mt -126.9 135.48 51.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.68 111.31 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.44 HD11 HD13 ' A' ' 96' ' ' LEU . 81.4 mt -82.38 -50.72 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.97 50.45 2.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.618 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.0 mt -131.67 130.53 42.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -90.32 84.07 6.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.6 pt -70.58 161.82 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -144.82 169.42 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.62 168.14 15.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.74 169.48 38.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.88 84.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.83 -39.31 93.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -90.54 10.31 25.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.333 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.09 45.02 83.52 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.667 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 tp -143.74 161.37 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.18 -158.6 9.52 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mm -118.75 88.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -85.56 -175.03 5.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.409 HD11 ' CG1' ' A' ' 70' ' ' ILE . 32.1 mt -144.05 104.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 t -119.23 46.74 1.82 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.13 140.83 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.94 108.62 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.9 135.69 96.18 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.66 94.4 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.456 2.104 . . . . 0.0 112.382 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.12 48.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.65 -174.38 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.16 -34.37 61.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -71.21 -41.52 70.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.96 -31.42 72.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -83.43 -34.44 19.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.574 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.712 ' HB3' HD21 ' A' ' 26' ' ' LEU . 78.8 p -61.61 -70.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.08 43.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.578 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -106.17 150.26 26.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.806 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 -177.97 5.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.1 m -87.4 136.62 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.73 23.72 20.05 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.74 152.26 19.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.759 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -114.35 102.47 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.409 ' CG1' HD11 ' A' ' 50' ' ' ILE . 35.6 mt -65.95 131.28 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -96.1 -64.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.48 160.13 42.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 98' ' ' LEU . 20.0 t -142.94 124.29 11.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 60.9 30.8 19.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.42 29.56 57.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.14 140.15 53.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.5 t -70.74 117.71 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.743 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 4.0 m-85 -107.27 35.19 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.6 mt -108.94 -44.95 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -110.63 36.34 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.1 tt -103.72 153.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.53 149.57 38.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -65.84 -45.77 80.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.61 -35.33 80.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -65.47 -40.14 92.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.41 69.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.29 -42.88 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -50.73 53.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.743 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 33.5 tp -60.15 -31.36 70.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.1 mt -81.0 -32.16 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.11 70.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 t -171.51 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m -80.59 176.75 9.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -96.0 -64.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.51 131.88 34.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 34' ' ' LEU . 27.6 mt -135.91 118.94 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.416 HG21 ' HD3' ' A' ' 23' ' ' LYS . 3.8 mt -112.49 80.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.489 ' HA ' HG22 ' A' ' 73' ' ' VAL . 5.7 mp -76.23 130.76 38.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -109.25 99.56 8.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.6 m -108.33 139.95 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -98.78 166.44 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -115.23 123.32 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG2' HG22 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -106.95 120.3 41.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.58 112.11 38.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -93.93 134.75 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD21 ' OG ' ' A' ' 62' ' ' SER . 18.1 mt -135.58 135.4 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.492 HG22 ' CE1' ' A' ' 95' ' ' HIS . 21.5 t -108.69 96.37 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 96' ' ' LEU . 23.4 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.817 0.342 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.562 HD11 HD13 ' A' ' 96' ' ' LEU . 2.5 mt -62.36 -31.76 72.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.8 35.46 92.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.717 HD11 HD22 ' A' ' 64' ' ' LEU . 17.3 mt -104.15 155.65 18.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 m -113.58 77.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.0 pt -74.38 166.14 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -143.62 177.07 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.41 164.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -169.13 -174.6 37.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.628 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -71.15 -22.01 62.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 111.37 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.95 27.92 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.133 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -147.34 20.26 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.234 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.9 26.81 8.84 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.778 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.0 tp -135.28 160.69 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.25 -163.04 37.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -105.72 116.76 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.365 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -116.58 -177.33 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 mt -132.78 146.64 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -161.67 39.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.56 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 179.6 135.94 2.56 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.454 HG22 ' CD2' ' A' ' 36' ' ' LEU . 21.6 t -137.74 127.51 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 111.02 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 149.35 75.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.59 92.93 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.574 2.183 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.81 38.98 12.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 p -89.94 177.98 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.813 0.339 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.03 -34.19 74.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.99 60.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.62 -31.91 72.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.8 -43.06 60.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.538 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.502 ' OG ' HD21 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.86 -57.06 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.334 . . . . 0.0 110.875 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.87 49.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.433 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.717 HD22 HD11 ' A' ' 36' ' ' LEU . 1.2 mp -104.79 147.44 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.01 -175.16 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 52' ' ' GLY . 15.5 m -91.36 137.95 20.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.71 -28.63 9.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 143.52 47.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.27 111.31 23.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.411 ' HA ' HG12 ' A' ' 100' ' ' VAL . 4.4 mt -69.71 112.92 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.8 mt -73.53 -65.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.52 161.0 38.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.414 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.3 t -142.56 128.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.56 35.76 20.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.3 27.99 72.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.57 126.91 44.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 110.81 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.24 116.93 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.414 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.8 m-85 -98.7 30.28 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -93.0 -31.08 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.628 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 7.3 t-20 -126.85 55.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.418 ' N ' ' HB2' ' A' ' 42' ' ' ALA . 1.1 tp -116.67 137.23 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.49 149.92 28.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.61 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.5 t60 -63.33 -38.87 92.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -72.74 -34.49 67.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.17 -38.44 60.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.48 93.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 83' ' ' HIS . 25.3 t -72.88 -49.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -46.57 89.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.74 -45.06 91.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.8 mt -59.98 -31.62 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -106.84 46.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.51 -59.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -65.8 166.04 11.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -91.25 -57.7 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.492 ' CE1' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -88.3 100.51 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 28' ' ' LEU . 12.3 mt -99.97 119.6 38.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.5 HG22 ' HG2' ' A' ' 23' ' ' LYS . 2.3 mt -115.96 82.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.77 143.25 46.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -122.73 80.03 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 70' ' ' ILE . 11.7 m -87.56 169.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 151.17 46.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.917 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.522 ' O ' HG23 ' A' ' 99' ' ' THR . 16.4 ttpt -90.65 158.77 16.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -135.33 144.46 46.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.18 90.91 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -79.03 132.87 36.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.5 mt -136.75 142.68 43.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.82 90.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.682 HD11 ' CD1' ' A' ' 96' ' ' LEU . 60.5 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.643 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -87.42 -47.62 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.98 33.28 5.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.392 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.771 HD11 HD13 ' A' ' 64' ' ' LEU . 55.2 mt -117.65 124.71 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.899 0.381 . . . . 0.0 110.822 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -87.01 96.88 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 pt -89.54 161.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -142.73 165.28 27.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.27 154.6 6.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.71 -177.63 47.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.63 -30.22 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.72 0.295 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -32.64 45.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -93.46 13.42 21.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.231 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.9 26.63 26.98 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.717 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.3 tp -136.31 153.17 51.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.53 -170.51 7.53 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.9 mm -101.11 106.63 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.707 0.289 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -110.71 -175.8 2.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mt -125.66 152.34 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 t -167.38 38.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.712 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -172.87 146.45 9.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.572 HG23 HG13 ' A' ' 66' ' ' VAL . 21.4 t -147.72 108.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.09 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.8 142.3 94.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.33 109.5 2.93 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.516 2.144 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.05 38.15 9.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.538 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -104.68 175.27 5.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.766 0.317 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -69.85 -31.56 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.09 -49.3 24.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.21 -37.27 79.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.46 72.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -69.18 -55.78 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.32 54.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.771 HD13 HD11 ' A' ' 36' ' ' LEU . 9.5 mt -117.91 125.74 51.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -98.47 -176.94 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.712 HG12 ' N ' ' A' ' 52' ' ' GLY . 4.4 m -99.55 120.97 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.05 -25.26 4.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.08 166.2 1.64 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -121.74 116.53 24.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.7 mt -76.15 109.29 9.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.45 -62.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.06 164.07 31.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.413 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.5 t -144.84 128.69 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.36 30.2 19.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.72 28.16 55.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -129.81 131.48 46.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.9 m -68.55 116.49 9.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.423 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.8 m-85 -97.62 39.12 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 mt -102.71 -31.3 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -121.86 36.56 4.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.8 tt -102.59 156.77 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mp -78.24 151.88 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.48 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.8 t60 -60.35 -47.4 86.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.68 -51.91 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -60.4 -31.64 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.419 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -65.81 -46.42 78.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 83' ' ' HIS . 21.5 t -72.2 -42.11 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -67.07 -48.32 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.423 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 33.8 tp -60.5 -37.77 82.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 86' ' ' ALA . 45.1 mt -71.95 -31.09 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.38 38.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -136.45 -63.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.92 141.89 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -60.79 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -80.38 100.07 8.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.682 ' CD1' HD11 ' A' ' 28' ' ' LEU . 80.1 mt -97.36 123.13 41.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.4 mt -125.73 75.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 73' ' ' VAL . 7.0 mp -69.62 143.49 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 22' ' ' LYS . 2.5 m -120.82 98.69 6.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.1 m -107.79 162.03 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -124.47 172.37 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG2' HD12 ' A' ' 71' ' ' LEU . 1.2 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.935 0.398 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -123.14 122.57 38.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 145.0 25.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.59 97.02 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -88.47 124.95 34.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.8 mt -129.41 130.53 46.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.03 116.3 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.882 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.868 0.366 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 90' ' ' LEU . 15.3 mt -84.04 -41.53 17.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.97 37.46 33.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.586 HD11 HD13 ' A' ' 64' ' ' LEU . 32.6 mt -120.4 128.75 53.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -93.35 82.62 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.8 pt -72.09 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.31 167.51 25.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.63 160.46 2.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.78 -173.91 46.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.38 -30.61 68.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.044 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.33 -27.52 61.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -103.81 11.68 35.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.389 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.73 33.57 42.48 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.719 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.0 tp -137.13 153.76 50.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.65 -159.23 0.25 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -117.78 108.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 58.9 m-85 -109.54 -175.31 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 68' ' ' ASP . 30.4 mt -127.47 141.15 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.561 ' HA ' HG12 ' A' ' 66' ' ' VAL . 7.2 t -152.04 43.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.577 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -175.11 154.08 17.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.597 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -151.37 127.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.93 111.18 48.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 91.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.47 2.113 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.64 42.28 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -122.42 172.43 8.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.57 -31.61 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.58 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.16 -31.34 64.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.93 -34.04 22.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -60.36 -60.89 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.57 54.33 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 36' ' ' LEU . 37.0 mt -124.11 139.61 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -132.31 -178.18 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.577 HG12 ' N ' ' A' ' 52' ' ' GLY . 12.2 m -78.98 117.16 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.35 -26.61 3.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.519 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -58.67 148.06 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.89 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.423 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -116.35 117.19 29.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.06 123.9 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.537 HD12 ' HG2' ' A' ' 21' ' ' GLU . 44.6 mt -89.23 -42.99 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.78 154.67 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.694 HG22 ' HA ' ' A' ' 98' ' ' LEU . 19.9 t -138.44 129.53 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 60.76 30.92 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.33 28.45 67.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -120.77 138.29 54.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 129.5 40.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.64 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 4.1 m-85 -116.71 33.36 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -100.13 -36.31 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -114.67 31.29 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 tt -95.0 133.91 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.16 161.11 9.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.769 ' O ' HG23 ' A' ' 87' ' ' VAL . 86.5 t60 -72.37 -31.48 65.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.53 -44.88 33.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.6 -37.41 84.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.08 80.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 83' ' ' HIS . 30.7 t -65.95 -31.51 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -37.17 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.64 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 19.8 tp -65.65 -53.99 33.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 34' ' ' LEU . 78.2 mt -59.84 -34.2 72.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -101.85 57.38 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 t -152.36 -64.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t -61.84 149.71 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -31.38 53.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.515 ' O ' HD23 ' A' ' 96' ' ' LEU . 2.0 t-160 -109.75 125.22 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 95' ' ' HIS . 20.8 mt -128.75 124.2 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.06 72.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.694 ' HA ' HG22 ' A' ' 73' ' ' VAL . 4.7 mp -62.89 147.46 50.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -123.37 80.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.9 m -94.8 154.27 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -100.81 170.11 8.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -98.84 118.0 34.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -93.72 145.98 24.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.508 HG21 HD21 ' A' ' 64' ' ' LEU . 21.5 t -136.84 83.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -75.21 128.24 35.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 mt -131.27 141.54 50.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.92 113.62 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.952 HD21 HD12 ' A' ' 96' ' ' LEU . 55.8 mt -94.63 -44.91 7.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.74 41.38 6.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' HB1' ' A' ' 59' ' ' ALA . 77.8 mt -118.26 133.34 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -93.65 78.6 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.74 155.12 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.067 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.64 153.18 42.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.45 152.3 20.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.25 -168.81 41.48 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HB3' HD23 ' A' ' 82' ' ' LEU . . . -61.64 -30.61 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.081 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.01 -33.84 76.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -109.8 20.07 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.88 25.27 15.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.676 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 tp -121.29 161.44 21.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.95 -146.77 0.4 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.495 HG22 HD12 ' A' ' 70' ' ' ILE . 25.4 mm -127.15 107.59 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.894 0.378 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.443 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 65.7 m-85 -114.98 176.34 5.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 68' ' ' ASP . 31.6 mt -120.62 138.82 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.8 t -143.77 38.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.568 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 179.24 138.8 3.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.07 114.47 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.02 135.8 95.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.75 117.97 4.92 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.469 2.113 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.87 42.59 16.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 p -114.25 175.79 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -67.6 -39.41 84.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.601 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -74.05 -31.34 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -31.19 68.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.04 -39.08 92.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -41.56 99.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.1 36.76 0.85 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.601 HD12 ' HB1' ' A' ' 59' ' ' ALA . 92.7 mt -86.72 128.06 35.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -115.48 174.47 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 52' ' ' GLY . 27.4 m -78.13 135.86 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.099 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.6 -24.92 8.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.463 ' HB2' HD12 ' A' ' 50' ' ' ILE . 9.3 m-20 -57.22 152.36 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 111.074 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.443 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.1 tm0? -116.93 113.4 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.495 HD12 HG22 ' A' ' 48' ' ' ILE . 39.7 mt -73.06 103.22 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.3 mt -73.66 -40.75 63.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' OE2' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -164.62 163.35 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.57 HG22 ' HG ' ' A' ' 98' ' ' LEU . 21.5 t -145.36 124.09 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.9 m120 60.35 31.14 20.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.81 32.53 49.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -126.47 132.18 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -67.64 117.74 9.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -102.59 43.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.53 -49.91 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.63 32.17 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.9 tt -87.96 153.01 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 42' ' ' ALA . 66.8 mt -75.12 149.77 38.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -62.94 -36.0 81.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -73.93 -35.16 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -68.94 -33.28 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.88 -45.86 84.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.9 t -71.84 -40.38 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -31.45 67.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.1 tp -80.77 -33.53 34.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.552 HD22 ' CD1' ' A' ' 34' ' ' LEU . 21.5 mt -75.92 -32.72 59.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -109.17 70.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.5 t -171.59 -51.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m -72.4 140.36 48.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -72.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -79.63 123.96 28.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.952 HD12 HD21 ' A' ' 34' ' ' LEU . 30.2 mt -123.13 126.7 47.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.83 96.73 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HG ' HG22 ' A' ' 73' ' ' VAL . 6.6 mp -85.71 164.24 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.486 HG21 ' OE2' ' A' ' 72' ' ' GLU . 37.5 m -138.47 82.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.56 163.45 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -116.95 154.92 30.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.885 0.374 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -145.57 110.54 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.404 ' NZ ' HG21 ' A' ' 97' ' ' ILE . 3.6 tttm -89.47 130.31 35.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.57 95.75 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -81.87 141.71 33.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.667 HD12 ' CD2' ' A' ' 34' ' ' LEU . 60.3 mt -130.18 119.46 22.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.655 HG22 ' CE1' ' A' ' 95' ' ' HIS . 27.8 t -91.54 100.03 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.647 HD11 HD11 ' A' ' 96' ' ' LEU . 73.1 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.667 ' CD2' HD12 ' A' ' 26' ' ' LEU . 15.7 mt -87.69 -33.14 18.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.83 32.53 82.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD22 HG21 ' A' ' 50' ' ' ILE . 15.4 mt -107.22 152.06 24.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 m -107.77 105.15 14.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.412 HD11 ' CG2' ' A' ' 87' ' ' VAL . 12.8 pt -88.32 173.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.13 172.61 13.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.642 ' CA ' HD23 ' A' ' 46' ' ' LEU . . . 58.99 166.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -164.98 -171.18 30.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.563 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.28 -50.14 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -57.48 -33.3 67.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -84.74 -25.68 28.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.18 27.47 25.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.323 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.642 HD23 ' CA ' ' A' ' 40' ' ' GLY . 32.0 tp -122.27 153.65 38.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.65 -166.31 4.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mm -115.38 81.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 69' ' ' GLN . 47.7 m-85 -84.43 -174.93 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.455 HG21 HD22 ' A' ' 36' ' ' LEU . 21.6 mt -138.59 128.33 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 t -137.19 31.69 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.472 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -165.79 141.52 7.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.634 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.47 116.71 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.06 145.61 84.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.17 1.53 9.09 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.644 2.229 . . . . 0.0 112.848 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.57 41.06 0.8 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 p -107.04 -178.01 3.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -83.58 -30.4 27.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.42 80.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -40.3 96.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.46 -28.43 59.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.573 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.13 -59.34 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.98 49.9 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mt -120.6 138.68 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 -177.63 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 52' ' ' GLY . 12.6 m -77.69 157.85 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.34 -28.26 13.86 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.542 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.19 141.53 58.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.3 tt0 -110.84 116.62 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.67 114.05 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.55 -44.15 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -160.69 158.69 29.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.422 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 21.5 t -145.16 129.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.417 ' OD1' HG12 ' A' ' 73' ' ' VAL . 26.6 m120 60.5 30.46 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.3 28.23 64.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.0 140.01 53.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.309 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 t -72.5 115.73 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.422 ' CZ ' ' HB ' ' A' ' 73' ' ' VAL . 4.0 m-85 -100.29 38.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 68.9 mt -106.28 -33.8 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -118.43 34.08 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.5 tt -103.66 143.12 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.47 163.59 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.467 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.2 t60 -71.03 -49.04 49.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -64.96 -38.01 89.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -62.62 -42.63 99.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.36 -33.56 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 83' ' ' HIS . 21.7 t -80.95 -40.38 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -39.14 68.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.4 tp -71.27 -31.42 67.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.542 ' HB3' HD12 ' A' ' 34' ' ' LEU . 14.8 mt -79.55 -34.87 40.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.26 72.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.67 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.86 155.67 37.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -66.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.655 ' CE1' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -90.72 142.3 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 34' ' ' LEU . 7.2 mt -137.17 110.53 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.404 HG21 ' NZ ' ' A' ' 23' ' ' LYS . 1.9 mp -111.32 92.94 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.38 150.05 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.8 m -127.54 79.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.3 m -90.58 152.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.58 158.95 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HG2' HD12 ' A' ' 71' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -95.57 110.43 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 134.94 42.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.35 99.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.44 114.8 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.695 HD21 ' OG ' ' A' ' 62' ' ' SER . 96.8 mt -114.62 109.14 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.86 103.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.794 HD11 HD11 ' A' ' 96' ' ' LEU . 17.0 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.618 HD11 HD13 ' A' ' 96' ' ' LEU . 5.3 mt -93.93 -57.93 2.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.94 30.58 6.66 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.814 HD11 HD13 ' A' ' 64' ' ' LEU . 64.7 mt -106.52 155.91 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -117.55 84.82 2.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.423 HG22 HG12 ' A' ' 50' ' ' ILE . 3.6 pt -83.12 144.37 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.196 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.16 146.26 46.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.23 145.03 7.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.49 -154.21 15.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.426 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.95 -31.15 70.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.58 -31.67 72.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -110.76 16.53 21.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.321 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.87 25.42 15.99 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.716 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 tp -124.89 157.37 36.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.39 173.69 19.62 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 mm -90.05 122.31 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -126.81 -176.35 3.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' ' 68' ' ' ASP . 27.1 mt -130.21 149.32 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 50' ' ' ILE . 37.5 p -157.75 35.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.39 150.8 10.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.629 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.98 135.52 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.18 148.52 98.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.84 62.31 3.1 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.597 2.198 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.65 98.65 2.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.69 -171.27 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.56 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.46 -49.47 14.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.26 -36.65 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.6 -30.01 60.69 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.695 ' OG ' HD21 ' A' ' 26' ' ' LEU . 1.3 m -68.11 -68.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.84 59.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.814 HD13 HD11 ' A' ' 36' ' ' LEU . 1.6 mt -108.32 171.73 7.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.14 177.86 7.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.5 m -98.78 31.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.76 28.62 0.6 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.439 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.545 ' HB2' HD12 ' A' ' 50' ' ' ILE . 80.0 m-20 -96.41 162.54 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -122.24 122.8 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.9 mt -80.83 115.65 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.437 HD12 ' HG2' ' A' ' 21' ' ' GLU . 77.8 mt -84.41 -38.08 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.12 162.16 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.97 118.87 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 60.59 31.15 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.56 28.72 46.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.11 140.56 50.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.54 111.46 12.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.735 ' CD2' HG21 ' A' ' 81' ' ' ILE . 5.2 m-85 -103.93 32.94 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.1 -31.63 27.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -139.61 41.95 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.735 HG21 ' CD2' ' A' ' 78' ' ' PHE . 1.2 tt -88.39 142.75 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.18 152.99 31.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -60.03 -52.2 66.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.68 -49.99 75.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.2 -31.03 70.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.93 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.071 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 t -68.02 -45.67 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.82 -48.98 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.694 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 21.3 tp -60.79 -33.66 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.497 HD22 HD13 ' A' ' 34' ' ' LEU . 13.2 mt -77.06 -35.16 56.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -106.2 70.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -171.33 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -79.13 148.6 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -71.46 -61.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -76.43 131.85 39.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.794 HD11 HD11 ' A' ' 28' ' ' LEU . 20.2 mt -135.03 108.19 7.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.2 82.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.62 147.44 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 m -121.22 91.52 3.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.33 158.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -121.7 165.24 16.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.741 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -107.64 114.77 28.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.491 ' HG2' HG22 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -99.35 122.49 42.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -112.34 90.82 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -77.49 120.4 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 62' ' ' SER . 88.1 mt -117.11 117.25 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.05 93.44 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.029 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD11 HD11 ' A' ' 96' ' ' LEU . 77.6 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.648 HD21 HD12 ' A' ' 96' ' ' LEU . 78.6 mt -91.74 -41.84 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.6 43.35 29.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.495 HD22 HG21 ' A' ' 50' ' ' ILE . 15.7 mt -117.7 133.64 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 m -94.34 78.66 3.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.2 pt -77.06 159.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -138.68 166.97 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.8 158.58 25.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.553 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.08 -177.71 47.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.28 -32.28 70.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -46.11 75.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -85.93 4.23 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.376 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.25 44.85 94.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.563 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.5 tp -139.24 155.77 47.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.86 -163.0 4.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.62 HG22 HD12 ' A' ' 70' ' ' ILE . 25.9 mm -114.07 105.95 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -112.07 179.17 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.495 HG21 HD22 ' A' ' 36' ' ' LEU . 4.7 mt -127.32 132.42 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -143.26 41.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.71 149.39 11.94 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.718 HG12 ' OE1' ' A' ' 60' ' ' GLU . 21.6 t -152.27 96.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.35 111.15 4.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.05 108.13 0.26 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.45 2.1 . . . . 0.0 112.299 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.7 30.11 4.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.2 p -107.59 165.23 11.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.14 -32.0 70.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.37 -35.74 54.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.718 ' OE1' HG12 ' A' ' 53' ' ' VAL . 2.0 tp10 -61.72 -34.91 76.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.87 57.11 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.627 ' HB2' HD21 ' A' ' 26' ' ' LEU . 3.2 t -62.62 -44.77 95.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.87 35.73 0.88 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.1 mt -90.04 127.63 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.5 175.35 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.6 m -86.0 172.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.06 14.66 80.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.736 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.474 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -93.6 173.38 7.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.79 111.52 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.62 HD12 HG22 ' A' ' 48' ' ' ILE . 27.9 mt -74.75 106.56 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 101' ' ' LYS . 14.4 mt -73.93 -65.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -144.42 153.86 42.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.516 HG22 ' HG ' ' A' ' 98' ' ' LEU . 21.4 t -131.62 127.28 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.2 m120 60.33 31.23 20.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.82 30.13 64.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -127.65 141.42 51.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 m -63.17 128.39 35.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.428 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -122.3 30.44 6.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.5 mt -95.08 -55.98 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -98.3 38.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.989 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.3 tt -96.77 150.77 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.66 154.85 41.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.35 -36.4 82.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -73.96 -34.93 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.73 -34.07 69.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.8 -31.75 72.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.63 -43.32 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -68.6 -31.25 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.414 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 25.5 tp -80.08 -31.37 39.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' A' ' 34' ' ' LEU . 14.9 mt -81.65 -33.62 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.37 68.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.03 -62.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 m -69.91 132.16 45.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -74.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -69.96 124.24 23.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.648 HD12 HD21 ' A' ' 34' ' ' LEU . 65.5 mt -127.32 114.58 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.491 HG22 ' HG2' ' A' ' 23' ' ' LYS . 16.0 mt -110.32 91.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 73' ' ' VAL . 5.3 mp -83.61 155.52 23.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.66 95.32 3.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.44 143.72 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.443 ' HB3' HD11 ' A' ' 71' ' ' LEU . 19.5 pttt -106.63 164.1 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.338 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -112.37 122.4 47.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.41 148.04 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.7 88.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -80.67 143.8 32.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 62' ' ' SER . 65.8 mt -146.28 132.64 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.44 92.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 93' ' ' SER . 85.1 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.775 0.321 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.761 HD11 HD13 ' A' ' 96' ' ' LEU . 76.9 mt -86.34 -35.54 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.72 33.01 58.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -106.3 149.97 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -113.53 84.62 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 pt -84.67 163.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.69 179.36 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.682 ' CA ' HD23 ' A' ' 46' ' ' LEU . . . 69.61 174.68 12.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.12 179.55 48.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.393 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.73 66.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 111.075 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -34.23 73.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -97.18 13.58 28.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.293 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 53.56 31.57 44.67 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.709 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.682 HD23 ' CA ' ' A' ' 40' ' ' GLY . 29.0 tp -124.2 134.74 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.63 -166.83 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 70' ' ' ILE . 28.3 mm -109.1 101.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.435 ' CD2' ' HG2' ' A' ' 69' ' ' GLN . 83.7 m-85 -101.35 -174.99 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.0 mt -134.41 135.4 54.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 p -147.47 36.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.99 137.77 3.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.582 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.13 119.7 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.41 137.05 55.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.67 113.4 3.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.552 2.168 . . . . 0.0 112.364 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.15 -27.47 8.55 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -58.92 170.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.0 -44.37 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.41 70.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -32.75 63.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.59 -28.43 43.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.581 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -64.66 -55.5 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.59 56.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mt -107.32 171.79 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.82 -179.71 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 66' ' ' VAL . 5.9 m -98.62 102.11 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.82 -20.51 2.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.619 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -55.81 151.45 11.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.871 0.367 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.435 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 14.0 tm0? -112.85 107.01 15.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 48' ' ' ILE . 4.8 mt -64.72 109.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD21 ' HD2' ' A' ' 101' ' ' LYS . 27.9 mt -74.22 -48.96 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.28 161.73 37.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.431 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.9 t -140.96 127.12 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 60.39 31.25 20.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.67 28.25 63.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 ttt-85 -125.08 137.32 54.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.325 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.73 123.66 19.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' CE1' HD23 ' A' ' 89' ' ' LEU . 1.3 m-85 -110.89 31.01 6.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 mt -100.35 -41.57 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -111.89 32.97 5.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 tt -94.4 145.46 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.99 154.8 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -64.1 -54.22 37.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -64.28 -34.41 78.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.15 -34.93 79.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.16 83.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.22 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -35.01 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.785 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 78' ' ' PHE . 56.3 tp -76.09 -41.8 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.31 -31.87 62.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -108.31 73.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.5 t -175.94 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -64.6 152.31 42.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -32.9 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.05 124.1 49.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 34' ' ' LEU . 9.6 mt -130.69 118.03 20.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.13 72.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.07 132.03 47.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 m -113.29 92.28 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.3 m -91.92 163.97 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.428 ' HD2' HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -114.34 154.11 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -95.72 132.38 40.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -112.99 137.54 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 t -127.75 92.06 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -80.75 127.12 32.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' CD2' ' A' ' 34' ' ' LEU . 18.8 mt -129.98 130.48 45.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.55 106.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.823 0.344 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.615 ' CD2' HD12 ' A' ' 26' ' ' LEU . 12.1 mt -89.65 -62.41 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.53 40.6 2.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD21 ' HB1' ' A' ' 59' ' ' ALA . 1.2 mt -124.65 148.0 48.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 m -104.25 90.89 3.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.0 pt -84.46 137.11 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 ptt85 -121.35 158.96 27.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.58 148.27 8.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -164.75 -175.56 35.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -66.65 -30.4 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.078 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -32.74 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -95.07 16.41 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.253 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.01 26.33 19.12 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.745 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.8 tp -130.5 146.94 52.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.11 -179.29 21.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 81' ' ' ILE . 28.2 mm -91.51 117.67 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -115.12 -177.58 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.0 mt -130.97 140.35 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.415 ' HA ' HG12 ' A' ' 66' ' ' VAL . 9.5 t -163.09 43.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.478 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -163.4 146.74 11.99 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.485 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -148.94 115.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.74 0.305 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.41 129.37 92.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.55 103.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.417 2.078 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.65 70.58 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 p -130.22 179.5 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.17 -51.6 65.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.591 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -60.25 -31.14 69.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -70.2 -36.2 74.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.37 -39.85 21.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -69.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.91 61.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.591 HD12 ' HB1' ' A' ' 59' ' ' ALA . 46.4 mt -123.21 122.39 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.63 -174.91 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 52' ' ' GLY . 14.5 m -95.16 136.88 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.1 -27.86 9.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -60.26 156.32 15.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.306 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -117.29 122.86 45.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.74 ' HA ' HG12 ' A' ' 100' ' ' VAL . 32.3 mt -77.95 133.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.88 -48.4 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -160.88 159.59 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.1 t -141.82 126.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 60.38 31.28 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.76 27.39 67.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.07 146.16 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -74.64 118.0 17.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -109.15 29.78 7.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.0 mt -94.14 -51.61 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.769 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.507 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 17.5 t-20 -107.84 31.53 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.5 HG23 HD11 ' A' ' 48' ' ' ILE . 3.4 tt -84.71 147.54 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -74.07 155.33 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.832 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.1 t60 -62.9 -42.93 99.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.18 -40.15 74.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -63.28 -45.88 89.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.0 72.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 83' ' ' HIS . 27.5 t -77.09 -46.94 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -66.44 -44.57 82.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.64 -32.79 74.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 90' ' ' LEU . 31.1 mt -81.31 -21.17 39.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.93 57.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -158.74 -57.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -59.05 173.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.16 -35.5 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.476 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.1 t-160 -108.76 116.79 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 95' ' ' HIS . 8.9 mt -122.92 103.32 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.3 mt -107.77 77.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.559 ' HA ' HG22 ' A' ' 73' ' ' VAL . 4.0 mp -66.96 144.26 56.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 m -120.05 91.67 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' A' ' 70' ' ' ILE . 31.3 m -104.43 159.64 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -107.38 141.73 38.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -102.11 149.42 24.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 142.33 50.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.54 105.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -88.45 138.3 31.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.484 HD12 HD22 ' A' ' 34' ' ' LEU . 90.2 mt -131.89 129.9 40.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.7 t -102.41 109.02 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.342 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 96' ' ' LEU . 71.1 mt -82.09 -35.79 28.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.94 49.73 45.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -118.09 124.38 47.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.7 m -81.95 92.12 6.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.6 pt -92.71 152.01 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -141.24 141.56 33.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.44 147.43 22.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.68 -168.66 38.26 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.43 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -66.03 -39.32 90.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -63.34 -38.66 92.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -93.94 4.2 54.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.59 43.82 94.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.604 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.3 tp -145.77 157.32 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.37 -178.27 24.09 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.543 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.536 HG22 HD12 ' A' ' 70' ' ' ILE . 29.1 mm -97.36 118.73 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.432 ' CD1' ' HG2' ' A' ' 69' ' ' GLN . 70.2 m-85 -125.88 -175.02 3.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.585 HD12 ' HB2' ' A' ' 68' ' ' ASP . 28.5 mt -135.08 140.09 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.7 p -144.5 29.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.04 151.3 10.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.593 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.52 121.06 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.02 110.16 2.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.71 99.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.433 2.089 . . . . 0.0 112.286 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.69 30.23 4.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.531 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.7 p -100.81 178.16 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.17 -31.83 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 64' ' ' LEU . . . -75.66 -42.36 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.193 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -66.66 -35.47 80.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.19 -30.29 71.84 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.563 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.4 t -67.64 -57.59 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.96 49.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' CD1' ' HB1' ' A' ' 59' ' ' ALA . 7.9 mt -105.0 170.3 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.967 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 178.47 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.96 144.39 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.31 -23.13 32.67 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.543 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.585 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -57.58 156.46 8.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.986 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.432 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 20.1 tm0? -122.07 116.44 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.536 HD12 HG22 ' A' ' 48' ' ' ILE . 36.1 mt -73.44 120.91 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.082 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.6 mt -89.46 -65.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 pm0 -140.26 153.99 46.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.98 125.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.57 30.7 19.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.59 27.98 56.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.84 128.82 50.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.3 m -67.64 110.31 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.5 m-85 -95.43 67.7 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 mt -120.42 -42.03 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.43 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 57.5 t30 -115.93 37.82 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.539 HD11 ' HG2' ' A' ' 85' ' ' GLU . 2.3 tt -96.54 143.17 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.053 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.59 159.37 18.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.7 t60 -65.56 -45.58 82.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.23 -38.89 78.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.539 ' HG2' HD11 ' A' ' 81' ' ' ILE . 11.0 tt0 -60.21 -38.26 82.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.68 81.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.062 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.489 HG13 ' NZ ' ' A' ' 91' ' ' LYS . 21.4 t -77.91 -42.35 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -69.05 -44.22 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 27.7 tp -65.0 -37.77 88.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.532 ' O ' HD11 ' A' ' 96' ' ' LEU . 52.7 mt -73.91 -33.64 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.489 ' NZ ' HG13 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -108.37 67.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -160.78 -46.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -84.87 -175.24 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.29 -74.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -70.91 108.83 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.636 HD13 HD11 ' A' ' 34' ' ' LEU . 93.2 mt -115.32 107.65 15.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.9 83.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.86 140.77 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -120.61 96.26 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.87 171.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -137.43 167.83 20.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -141.18 -59.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.94 32.0 5.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.88 68.53 1.47 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -114.73 -177.35 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 p -140.9 -47.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.65 31.26 7.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.65 -42.29 12.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.96 -46.29 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -174.18 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.6 p -163.24 -45.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER 61.68 114.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.607 HD12 HG22 ' A' ' 12' ' ' THR . 2.2 mp 60.29 158.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 158.74 16.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 tp -160.64 140.5 11.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mp -93.54 139.66 30.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -128.22 91.52 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.54 85.05 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.14 175.08 26.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.564 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.26 31.42 4.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.33 149.02 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -141.75 116.61 9.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -89.15 111.97 22.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.496 HG13 ' OG ' ' A' ' 62' ' ' SER . 21.5 t -100.61 98.54 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -93.14 121.77 34.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' ' 62' ' ' SER . 21.7 mt -124.17 144.14 50.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.75 116.87 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 32' ' ' ARG . 25.8 mt -96.65 163.35 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.19 -109.13 2.82 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.88 94.42 4.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.65 25.07 12.31 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.506 ' HB3' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -91.76 -178.48 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 110.893 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 m -172.88 174.21 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.96 HD11 HD13 ' A' ' 96' ' ' LEU . 4.8 mt -91.05 -32.65 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.19 32.45 76.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.749 HD11 ' HB1' ' A' ' 59' ' ' ALA . 86.7 mt -108.55 125.88 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 m -84.46 85.09 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.7 pt -76.51 153.42 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 168.46 18.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.48 ' CA ' HD23 ' A' ' 46' ' ' LEU . . . 81.27 164.97 33.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.86 172.82 41.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.414 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.36 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.056 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.28 -36.29 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -95.85 -31.1 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.45 28.24 7.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.48 HD23 ' CA ' ' A' ' 40' ' ' GLY . 43.4 tp -120.01 152.23 37.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.19 -176.12 8.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -102.96 96.31 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 6.3 m-85 -107.17 -176.93 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 68' ' ' ASP . 2.0 mp -128.95 134.57 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 p -140.56 35.42 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -175.77 135.25 2.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.1 t -135.51 125.16 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.76 141.84 87.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.94 81.88 2.1 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.554 2.17 . . . . 0.0 112.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.45 40.73 0.92 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.534 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -102.39 179.72 4.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.32 -29.83 57.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.749 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -75.94 -32.25 59.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.5 -45.55 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.15 -43.93 98.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.547 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.612 ' HB2' HD21 ' A' ' 26' ' ' LEU . 10.1 t -60.17 -40.42 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.12 41.02 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -105.52 132.74 51.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.93 177.34 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 52' ' ' GLY . 29.2 m -68.4 153.98 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.55 -28.29 13.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.562 ' O ' HD12 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -61.09 149.05 38.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.939 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.3 tm0? -115.19 111.41 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.775 ' HA ' HG12 ' A' ' 100' ' ' VAL . 38.2 mt -73.41 113.79 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.97 -62.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.64 158.25 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.06 130.32 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.78 30.79 19.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.41 28.34 66.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 131.61 53.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.7 m -63.6 113.5 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.464 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 2.5 m-85 -98.72 30.49 3.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -92.41 -31.57 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -126.06 37.35 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.98 137.8 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.58 161.18 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.75 ' O ' HG23 ' A' ' 87' ' ' VAL . 62.6 t60 -69.78 -51.97 29.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -65.91 -31.8 72.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.68 -34.28 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.16 63.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 83' ' ' HIS . 29.2 t -79.7 -30.98 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -87.31 -41.33 13.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.464 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 51.7 tp -59.76 -31.05 69.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.572 ' O ' HD11 ' A' ' 96' ' ' LEU . 16.9 mt -76.25 -34.8 59.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -98.31 36.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 t -133.28 -47.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 t -75.43 146.98 40.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.37 -62.81 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.3 100.84 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.96 HD13 HD11 ' A' ' 34' ' ' LEU . 57.9 mt -94.46 109.07 20.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.17 74.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.455 HD11 HD22 ' A' ' 90' ' ' LEU . 1.9 mp -70.19 115.29 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.4 m -102.94 89.41 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.775 HG12 ' HA ' ' A' ' 70' ' ' ILE . 26.8 m -102.63 164.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -113.37 157.27 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.59 90.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.95 82.63 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.4 80.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.542 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -129.57 -58.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.68 142.66 25.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.84 -51.52 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.502 2.135 . . . . 0.0 112.381 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.8 111.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -133.01 179.33 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.11 -46.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.1 p -130.05 75.12 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.584 ' O ' HG13 ' A' ' 113' ' ' VAL . 3.7 m -116.43 28.22 8.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 112' ' ' THR . 3.4 m -160.72 110.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.56 98.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HG3' HG23 ' A' ' 116' ' ' THR . 12.3 pt-20 -69.77 -42.68 73.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 115' ' ' GLU . 70.4 p -79.12 -28.58 42.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.9 tttt 63.43 71.27 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 49.6 m95 59.21 107.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.6 pt -78.56 176.02 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -136.84 122.86 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.0 m -114.46 171.97 7.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.34 90.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.2 m -141.24 168.64 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.23 -70.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.19 141.71 47.96 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.591 2.194 . . . . 0.0 112.334 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.5 m -154.49 31.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 m -109.26 -50.09 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.552 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -99.45 79.96 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -99.42 79.54 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.74 75.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 132.34 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.807 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -108.06 31.3 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.26 77.28 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.47 79.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -105.66 -40.88 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -147.12 83.22 1.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -124.74 -66.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.34 87.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mp -129.57 31.71 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -103.76 121.1 42.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.49 153.44 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 tp -109.16 -29.54 8.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 62.33 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.4 128.17 0.61 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.439 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.83 -167.38 12.26 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -108.53 115.96 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -118.05 138.28 52.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -103.35 114.52 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.58 140.15 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.93 84.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -70.17 110.53 5.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.658 HD21 ' HB2' ' A' ' 62' ' ' SER . 52.9 mt -118.15 126.79 52.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.6 t -104.29 90.88 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.929 HD11 HD11 ' A' ' 96' ' ' LEU . 72.2 mt -67.44 -178.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.86 72.11 0.47 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 62.02 31.03 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.92 59.81 0.45 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.533 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -92.12 -4.09 54.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.654 0.264 . . . . 0.0 111.429 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m 61.09 155.9 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.648 ' CD1' HD22 ' A' ' 90' ' ' LEU . 14.1 mt -92.29 -47.78 7.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.19 30.65 12.04 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.559 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 52' ' ' GLY . 39.4 mt -110.0 145.35 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 m -105.28 78.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 pt -72.05 166.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.46 163.52 36.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.64 170.74 46.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.48 168.17 34.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.406 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.65 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.92 -61.87 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -62.09 -29.09 70.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.68 27.46 7.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.407 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.429 HD11 ' HE2' ' A' ' 49' ' ' TYR . 53.6 tp -130.37 147.86 52.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.49 -148.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.411 HD11 HG23 ' A' ' 81' ' ' ILE . 27.6 mm -125.12 123.95 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.429 ' HE2' HD11 ' A' ' 46' ' ' LEU . 92.5 m-85 -129.21 -177.43 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG21 HD22 ' A' ' 36' ' ' LEU . 32.1 mt -132.21 141.1 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.7 p -153.7 40.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.638 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -169.12 143.18 7.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.444 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.47 118.44 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 0.0 111.02 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.25 143.98 83.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.42 102.87 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.561 2.174 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.63 34.61 7.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.6 p -96.58 168.74 10.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -68.19 -31.62 71.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.9 -35.5 67.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -72.59 -31.1 64.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.89 -43.9 90.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.571 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.658 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -60.24 -49.18 78.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.25 44.23 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.528 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.0 148.87 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.815 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.84 173.73 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -86.97 133.13 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.82 -19.66 23.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.42 149.53 13.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 110.996 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -107.92 110.64 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.415 ' HA ' HG12 ' A' ' 100' ' ' VAL . 27.5 mt -73.78 112.62 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.69 -61.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -143.54 160.8 39.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.64 126.81 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.8 m120 60.41 35.88 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.99 28.17 67.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.436 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -132.67 130.7 40.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.27 137.64 58.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.6 m-85 -120.58 31.27 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.34 -57.47 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -98.24 35.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 48' ' ' ILE . 3.6 tt -92.76 137.9 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.7 164.33 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.408 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.4 t60 -73.49 -31.55 63.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.13 -39.62 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -62.23 -34.52 76.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -65.55 -31.13 72.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 83' ' ' HIS . 21.5 t -82.7 -51.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -60.48 -34.38 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.634 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 17.1 tp -78.48 -31.18 47.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.648 HD22 ' CD1' ' A' ' 34' ' ' LEU . 20.7 mt -82.5 -33.07 28.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.08 75.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -176.91 -43.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.523 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -81.75 154.45 25.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -76.7 -61.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -90.43 123.29 34.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.929 HD11 HD11 ' A' ' 28' ' ' LEU . 8.7 mt -122.57 103.79 8.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.0 mt -99.59 89.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.56 158.07 24.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.1 m -130.21 85.11 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 70' ' ' ILE . 15.9 m -100.1 148.71 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.05 175.28 5.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -72.37 125.78 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.29 86.02 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.8 26.26 20.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -95.02 177.99 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 tt -141.66 101.86 5.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.03 -179.76 2.35 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.391 2.061 . . . . 0.0 112.291 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -115.35 -54.79 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 61.03 166.31 0.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.035 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -151.25 84.93 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.07 81.12 3.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 p -135.25 57.5 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t 63.05 148.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.9 99.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -93.45 68.76 4.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.0 m -117.84 -42.29 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.1 83.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -105.51 -38.24 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.401 HD12 ' OG ' ' A' ' 122' ' ' SER . 15.3 pt -110.77 123.27 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.18 112.72 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.94 112.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.401 ' OG ' HD12 ' A' ' 119' ' ' ILE . 3.6 m -97.98 110.27 22.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.5 p -139.4 176.52 8.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -166.38 53.18 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.592 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.98 176.69 6.6 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.515 2.143 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 m 60.27 58.83 2.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.3 t -72.72 -31.35 64.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.534 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.96 159.67 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.23 128.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.43 -133.85 1.98 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -73.28 138.25 45.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -71.07 148.2 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.68 -101.48 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -106.11 117.62 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.6 mtm-85 -78.09 172.42 13.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -111.15 95.41 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.51 95.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.8 m -97.28 80.72 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mt -137.19 -53.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -150.95 164.22 36.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.31 84.08 2.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.784 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.94 84.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -98.67 136.94 38.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.35 42.51 0.21 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.05 140.31 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.35 30.39 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.04 141.52 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -89.99 147.27 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -128.92 122.77 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.438 HG11 ' HG ' ' A' ' 64' ' ' LEU . 21.5 t -119.57 90.75 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -81.64 128.05 33.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 62' ' ' SER . 50.4 mt -137.9 128.52 26.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 t -105.42 124.89 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.663 HD11 HD11 ' A' ' 96' ' ' LEU . 60.9 mt -100.21 149.45 23.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.99 -92.33 0.17 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.47 -49.14 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.03 43.42 1.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -98.04 -177.7 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -164.46 151.58 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 96' ' ' LEU . 14.0 mt -65.59 -48.81 71.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.54 35.38 8.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.628 HD11 HD13 ' A' ' 64' ' ' LEU . 91.2 mt -111.95 130.15 55.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -91.84 84.71 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 pt -70.09 169.77 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HG3' HG21 ' A' ' 51' ' ' THR . 0.0 OUTLIER -140.84 176.92 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.46 -174.76 7.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.04 179.85 38.53 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.59 76.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -47.13 70.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -71.01 -30.09 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.59 33.12 7.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.434 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.5 tp -135.7 155.28 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.42 -166.08 1.07 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.6 mm -117.18 89.15 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -90.16 -174.99 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 37.4 mt -131.99 114.9 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.414 HG21 ' HG3' ' A' ' 39' ' ' ARG . 4.2 t -132.57 47.78 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.37 134.45 3.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.41 96.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.82 148.21 92.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 122.12 8.38 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.497 2.132 . . . . 0.0 112.287 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.87 34.18 43.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.0 p -95.53 161.73 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.56 -31.86 71.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.45 75.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -69.46 -31.49 69.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.51 -37.06 53.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.517 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.12 -68.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.25 44.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.628 HD13 HD11 ' A' ' 36' ' ' LEU . 53.5 mt -109.46 101.45 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -97.17 -172.66 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.6 m -84.63 147.1 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.79 ' O ' HG21 ' A' ' 103' ' ' VAL . . . 99.24 -29.08 12.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.59 119.41 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -89.31 113.75 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' ' 100' ' ' VAL . 40.2 mt -73.33 113.8 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt -83.77 -40.21 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pm0 -161.08 159.09 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.431 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.5 t -146.32 128.15 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 60.37 30.92 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.3 27.69 57.22 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.599 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -129.06 136.6 50.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -67.17 117.61 9.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.6 m-85 -103.72 30.09 5.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.2 mt -102.37 -31.04 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -122.81 33.68 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.5 tt -97.76 154.03 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.66 155.66 40.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.556 ' O ' HG23 ' A' ' 87' ' ' VAL . 2.8 t60 -63.45 -55.32 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.71 -41.15 97.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.92 -33.12 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.89 -33.86 62.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 83' ' ' HIS . 20.0 t -79.92 -29.52 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -31.7 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.7 tp -76.83 -34.48 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 34' ' ' LEU . 17.5 mt -77.07 -31.21 55.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -103.22 42.83 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.0 t -141.63 -50.63 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 t -76.57 140.46 41.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -66.89 -54.35 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -83.44 135.41 34.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.663 HD11 HD11 ' A' ' 28' ' ' LEU . 18.4 mt -137.37 122.28 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.559 HD12 ' N ' ' A' ' 97' ' ' ILE . 3.5 mp -129.92 82.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.515 HD23 HD13 ' A' ' 70' ' ' ILE . 5.3 mp -75.48 151.96 37.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.1 m -127.12 88.05 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' ' 70' ' ' ILE . 28.9 m -100.33 158.91 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 162.75 14.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -70.15 95.47 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.79 HG21 ' O ' ' A' ' 67' ' ' GLY . 29.2 t -62.44 -32.22 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.66 -61.11 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.47 96.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.7 mt -116.11 118.97 37.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.791 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -52.06 -57.3 2.21 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.371 2.047 . . . . 0.0 112.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.5 161.37 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.2 97.0 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -128.91 102.44 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.35 166.13 25.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.1 m -107.1 -31.67 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.29 115.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.16 -46.83 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.4 129.2 34.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.49 -47.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.73 32.75 5.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 61.93 173.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 119' ' ' ILE . 1.4 tp -59.39 114.2 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.64 118.51 12.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.057 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 101.98 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.5 t -100.91 82.97 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 m -145.81 -177.72 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 61.68 61.19 7.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.78 143.44 47.75 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.574 2.182 . . . . 0.0 112.284 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.24 -51.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.71 31.76 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.485 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -173.94 92.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.74 160.02 16.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.43 -45.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.555 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -130.09 -176.38 3.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.12 152.29 18.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.71 138.54 42.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.81 150.06 48.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.363 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -118.74 -60.26 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -60.03 152.28 24.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -133.18 -55.9 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p 56.4 32.71 21.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.32 142.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -150.11 -46.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.8 tp -167.96 135.94 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.85 174.14 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -100.02 155.69 17.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.23 135.74 7.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.69 63.6 0.26 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.56 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -102.59 134.12 46.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.63 161.11 24.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -126.8 162.46 25.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.53 135.11 42.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.565 HG13 ' OG ' ' A' ' 62' ' ' SER . 21.4 t -123.2 90.51 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -76.64 119.21 20.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 34' ' ' LEU . 72.8 mt -123.0 137.05 55.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.23 108.96 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 96' ' ' LEU . 3.3 mt -95.67 163.87 13.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.06 43.9 1.58 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.399 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 59.79 39.2 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.54 -39.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.2 mmp_? -59.36 175.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.3 p -149.06 171.53 16.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.519 ' CD2' HD12 ' A' ' 26' ' ' LEU . 8.7 mt -79.52 -35.96 39.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.88 40.79 93.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.526 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' HB1' ' A' ' 59' ' ' ALA . 19.7 mt -116.36 137.12 52.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 m -94.74 85.92 4.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.8 pt -72.06 151.76 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -133.62 156.19 48.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.8 150.85 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -159.12 171.54 35.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -60.91 -30.22 70.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 111.071 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -73.07 -30.7 63.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -95.26 18.84 11.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.259 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.06 26.07 18.88 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.781 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 tp -130.1 138.93 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.26 -176.04 2.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 70' ' ' ILE . 30.3 mm -98.41 115.25 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -119.34 -175.71 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.2 mt -127.09 143.23 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.453 ' HA ' HG12 ' A' ' 66' ' ' VAL . 4.7 t -157.18 42.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -173.62 139.84 5.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.514 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.31 109.75 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 111.085 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.98 145.44 53.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.72 136.08 22.7 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.516 2.144 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.6 31.08 51.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.7 p -107.33 150.48 26.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.735 0.303 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -32.04 72.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' A' ' 64' ' ' LEU . . . -72.47 -31.19 65.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.19 -31.17 65.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.4 -33.42 64.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.565 ' OG ' HG13 ' A' ' 24' ' ' VAL . 1.4 t -71.32 -38.48 71.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.71 39.83 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.627 HD13 ' HB1' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -88.84 120.29 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.83 178.81 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.574 HG12 ' N ' ' A' ' 52' ' ' GLY . 15.6 m -84.74 149.63 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.95 -26.35 23.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.91 151.91 20.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -118.61 116.97 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.53 HD12 HG22 ' A' ' 48' ' ' ILE . 32.6 mt -72.99 134.09 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.7 mt -104.01 -49.23 3.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -156.68 152.92 27.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.4 t -139.9 128.02 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 m120 60.47 31.23 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.78 27.9 59.98 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.51 134.93 54.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.84 109.98 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.45 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.6 m-85 -101.47 30.24 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.11 -31.66 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.429 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 9.1 p-10 -137.29 74.49 1.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.488 HD11 ' HG2' ' A' ' 85' ' ' GLU . 5.7 tt -127.16 150.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.7 mt -60.48 156.87 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.732 ' O ' HG23 ' A' ' 87' ' ' VAL . 85.6 t60 -66.49 -31.31 71.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -83.93 -42.47 16.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.488 ' HG2' HD11 ' A' ' 81' ' ' ILE . 16.5 tt0 -60.25 -36.88 78.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.04 84.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 83' ' ' HIS . 27.8 t -70.76 -53.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.94 -45.19 93.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.45 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 40.3 tp -64.68 -31.37 72.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.89 -35.34 57.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -107.7 58.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.1 t -148.68 -50.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -76.32 150.04 36.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -73.25 -45.43 55.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.0 112.77 24.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.582 ' CD1' HD11 ' A' ' 28' ' ' LEU . 16.0 mt -115.57 117.58 30.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mt -119.49 80.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.615 ' HA ' HG22 ' A' ' 73' ' ' VAL . 4.1 mp -68.95 141.14 55.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -114.68 92.71 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.24 143.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -100.01 164.73 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -71.93 96.81 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.03 -60.5 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.051 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.14 63.36 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.517 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -40.18 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp -108.31 163.75 16.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.74 174.88 9.7 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.574 2.183 . . . . 0.0 112.301 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -119.38 125.45 49.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.29 -39.57 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 62.77 -80.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.94 158.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.02 144.69 40.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.0 -30.98 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.48 137.46 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 109.87 16.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.32 -45.02 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.74 30.72 16.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -164.59 89.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 119' ' ' ILE . 0.7 OUTLIER -102.67 120.39 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -119.12 36.48 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 m 59.0 173.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.6 t -135.13 122.31 21.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p -132.25 115.83 16.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.93 74.16 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.17 137.51 54.66 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.627 2.218 . . . . 0.0 112.283 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m -92.72 -59.81 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 82.8 p -134.37 31.4 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.492 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -151.73 163.1 39.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.88 158.15 2.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.59 28.89 7.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.09 95.38 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.75 54.97 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.18 -50.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.66 172.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -109.07 108.46 19.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -95.29 149.6 21.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m 60.57 85.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 p -77.67 -33.2 53.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mp -128.6 179.39 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 60.37 169.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 tp -159.61 97.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mt -93.83 145.68 24.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -77.61 -177.66 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.2 151.34 5.46 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.82 45.4 0.22 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -131.83 32.07 4.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.766 0.317 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -97.26 139.11 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -128.33 110.65 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HG3' HG23 ' A' ' 99' ' ' THR . 3.2 mttt -95.74 140.86 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG11 ' HB3' ' A' ' 62' ' ' SER . 21.4 t -135.12 103.01 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -74.19 148.67 41.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.688 HD21 ' OG ' ' A' ' 62' ' ' SER . 59.9 mt -150.67 140.2 21.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.22 107.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.858 HD11 HD11 ' A' ' 96' ' ' LEU . 78.7 mt -79.18 115.92 19.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.01 72.3 0.71 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.438 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.59 -79.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.62 75.37 0.64 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.68 166.07 25.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.91 176.32 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.64 ' CD1' HD22 ' A' ' 90' ' ' LEU . 24.7 mt -87.91 -46.13 9.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.64 44.9 7.58 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD21 ' HB1' ' A' ' 59' ' ' ALA . 17.3 mt -119.87 133.46 55.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 m -93.18 72.44 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 87' ' ' VAL . 2.1 pt -70.09 150.35 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.79 145.9 36.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.518 ' HA3' HD23 ' A' ' 46' ' ' LEU . . . 88.01 155.55 29.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.38 -161.65 31.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 80' ' ' ASN . . . -62.74 -29.7 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 -49.1 74.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -96.75 18.16 15.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.04 26.08 18.81 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.762 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.518 HD23 ' HA3' ' A' ' 40' ' ' GLY . 8.7 tp -118.92 151.2 38.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.326 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.29 178.42 8.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.453 HD11 HG23 ' A' ' 81' ' ' ILE . 23.9 mm -95.47 94.73 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -99.61 -177.34 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.77 HD12 ' HB2' ' A' ' 68' ' ' ASP . 40.9 mt -129.8 156.08 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.444 ' N ' HG22 ' A' ' 50' ' ' ILE . 3.9 t -166.7 42.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.722 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 176.47 140.98 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.608 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.7 133.75 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -96.65 140.45 22.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.66 117.49 4.78 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.49 2.127 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.74 -24.76 18.78 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.695 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.2 p -57.72 171.75 0.44 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.809 0.338 . . . . 0.0 110.982 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.57 -38.6 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.682 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -66.28 -39.78 89.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -41.65 97.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.55 -37.52 78.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.688 ' OG ' HD21 ' A' ' 26' ' ' LEU . 1.2 m -61.44 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.2 45.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.4 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.6 126.5 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -116.09 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.722 HG12 ' N ' ' A' ' 52' ' ' GLY . 16.7 m -78.97 136.48 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.39 -24.73 25.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.578 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.77 ' HB2' HD12 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -58.06 144.47 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.97 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -108.62 130.16 55.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.3 mt -89.96 126.49 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.67 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -135.44 165.1 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.416 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.3 t -151.18 122.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 m120 60.15 31.15 20.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.99 28.21 50.72 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -129.17 130.78 46.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.66 118.01 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 4.2 m-85 -99.64 41.05 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.9 mt -93.57 -31.06 14.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 50.0 t30 -132.73 39.92 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.453 HG23 HD11 ' A' ' 48' ' ' ILE . 3.0 tt -94.1 146.63 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.84 161.86 6.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.8 t60 -77.68 -35.19 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -80.12 -31.53 39.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -74.31 -34.61 63.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.541 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -64.02 -30.87 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.483 HG13 ' HE2' ' A' ' 91' ' ' LYS . 21.5 t -85.4 -51.2 13.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -59.85 -41.85 92.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.86 -34.33 73.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.64 HD22 ' CD1' ' A' ' 34' ' ' LEU . 15.2 mt -77.51 -31.65 53.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.483 ' HE2' HG13 ' A' ' 87' ' ' VAL . 0.3 OUTLIER -110.38 75.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -177.12 -45.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.9 t -72.65 178.26 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -74.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -72.96 130.82 41.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.858 HD11 HD11 ' A' ' 28' ' ' LEU . 77.1 mt -133.58 116.3 15.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mt -122.5 93.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.16 145.66 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.449 HG23 ' HG3' ' A' ' 23' ' ' LYS . 1.8 m -120.74 82.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.5 m -90.17 163.56 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.15 172.89 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.39 110.58 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.478 HG21 ' HA ' ' A' ' 68' ' ' ASP . 21.5 t -90.28 -52.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -92.58 114.2 4.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.76 22.34 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 106' ' ' LEU . 3.2 tt 61.25 92.64 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.05 149.97 71.98 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.49 2.126 . . . . 0.0 112.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.9 -43.61 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.29 142.1 41.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.18 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -61.8 -64.9 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 114' ' ' ASP . 10.7 m 60.81 85.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.2 p -75.58 -45.65 36.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.431 HG12 ' H ' ' A' ' 115' ' ' GLU . 30.0 t -128.03 -67.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.542 ' HB2' HG23 ' A' ' 111' ' ' THR . 1.7 t0 57.16 31.23 19.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.974 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.431 ' H ' HG12 ' A' ' 113' ' ' VAL . 6.5 tt0 -144.88 102.7 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.7 p -143.4 60.06 1.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -147.01 -48.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -129.85 111.94 13.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.6 mt -127.39 149.36 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -94.35 169.66 10.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.3 t -83.43 -36.01 24.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 m -153.15 -56.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.0 p -176.26 -63.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 152.26 148.8 4.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.6 129.86 16.28 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.608 2.206 . . . . 0.0 112.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.5 m -163.7 -65.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 p -115.08 -178.18 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.498 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.47 102.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.362 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -74.43 173.98 9.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.17 121.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 p -143.66 179.29 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.839 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 p 54.01 83.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.026 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.14 71.71 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -134.78 177.57 7.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.53 132.3 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -163.42 -54.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.8 p -79.83 157.35 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.55 66.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.1 178.92 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -126.36 141.81 51.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.92 38.8 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -130.71 38.18 3.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -101.66 137.15 40.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.31 -156.39 15.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.69 -45.73 1.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -130.95 31.33 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.23 129.83 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -117.75 138.66 51.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -108.69 129.18 55.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 96.76 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -80.85 128.76 34.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 62' ' ' SER . 74.7 mt -124.62 128.68 49.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.18 108.7 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.671 HD22 ' HB2' ' A' ' 32' ' ' ARG . 50.6 mt -88.38 135.07 33.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.12 -117.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.387 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.42 -75.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.76 74.87 0.43 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.426 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.671 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.2 -173.75 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.382 . . . . 0.0 110.81 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 m -145.56 -175.24 4.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.806 HD11 HD13 ' A' ' 96' ' ' LEU . 33.1 mt -100.4 -53.24 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.09 28.32 23.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.561 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD11 HD13 ' A' ' 64' ' ' LEU . 44.2 mt -105.05 140.94 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 51' ' ' THR . 18.5 m -104.59 80.36 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 pt -71.78 156.76 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -135.51 155.94 49.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.07 154.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.57 -113.2 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.22 -41.88 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.33 -46.65 89.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -78.11 -31.35 49.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.28 28.51 14.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.3 tp -120.93 148.18 44.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.42 164.21 20.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.437 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.682 HD11 HG23 ' A' ' 81' ' ' ILE . 24.7 mm -82.09 92.25 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 111.129 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.435 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 83.4 m-85 -101.67 178.07 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.667 HD12 ' HB2' ' A' ' 68' ' ' ASP . 31.2 mt -123.67 148.89 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.031 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.682 ' HA ' HG12 ' A' ' 66' ' ' VAL . 10.0 t -159.11 37.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.3 133.72 2.94 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 65' ' ' LYS . 21.6 t -137.85 97.73 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.072 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.04 110.27 2.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.36 118.47 5.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.462 2.108 . . . . 0.0 112.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.56 30.86 14.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.8 p -108.78 179.33 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -43.21 63.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.34 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.972 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HG3' HG12 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -65.68 -37.45 86.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.945 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.39 -28.01 71.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.583 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.438 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -69.64 -67.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.972 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.52 46.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.435 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.627 HD13 HD11 ' A' ' 36' ' ' LEU . 25.2 mt -112.62 109.24 18.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HA ' HG21 ' A' ' 53' ' ' VAL . 1.2 mptt -112.72 175.56 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 51' ' ' THR . 17.0 m -67.74 138.32 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.41 -25.38 19.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.667 ' HB2' HD12 ' A' ' 50' ' ' ILE . 5.9 m-20 -57.92 144.26 39.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.435 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -111.02 108.43 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.627 HD12 HG22 ' A' ' 48' ' ' ILE . 36.9 mt -73.31 114.56 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.5 mt -85.39 -46.94 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 pm0 -159.45 154.8 25.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.484 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.6 t -139.35 135.26 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 60.82 29.76 19.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.81 36.79 83.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.77 138.79 45.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -62.81 125.12 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -110.07 29.94 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -87.57 -56.88 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -98.46 32.24 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.682 HG23 HD11 ' A' ' 48' ' ' ILE . 1.1 tp -89.64 136.65 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.2 165.46 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.0 OUTLIER -73.14 -49.88 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -63.8 -31.37 72.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -74.86 -31.14 61.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.06 -34.23 66.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 83' ' ' HIS . 24.2 t -79.41 -31.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -31.52 27.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -77.6 -34.77 53.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.435 HD21 HG21 ' A' ' 73' ' ' VAL . 61.7 mt -78.34 -31.97 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -104.24 59.68 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.1 t -154.32 -61.01 0.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -67.28 155.34 39.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -32.01 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -104.29 99.91 9.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.806 HD13 HD11 ' A' ' 34' ' ' LEU . 21.9 mt -108.43 109.88 21.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.7 mt -107.68 72.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.037 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' HA ' HG22 ' A' ' 73' ' ' VAL . 2.8 mp -60.39 147.17 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.9 m -123.51 87.1 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.1 m -104.39 157.37 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 103' ' ' VAL . 8.6 pttt -106.06 156.54 18.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -67.88 88.23 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 101' ' ' LYS . 21.7 t -91.98 -63.06 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -109.37 89.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.578 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.01 124.41 39.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.35 156.18 56.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.992 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.55 -170.58 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.528 2.152 . . . . 0.0 112.402 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.86 -64.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -171.25 159.39 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.47 -67.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.94 -179.2 4.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.28 -44.98 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.5 p -179.53 -37.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.233 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.65 54.97 1.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.795 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.48 70.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.94 78.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -84.74 97.99 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -161.56 88.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 119' ' ' ILE . 21.2 mt -108.43 30.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.92 -176.39 5.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 m -119.73 76.0 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.045 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 75.1 p -101.83 133.39 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.14 173.77 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.929 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 128.35 147.85 6.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.71 -16.4 29.99 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.575 2.183 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.67 -45.08 0.21 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.15 107.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.478 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m 63.67 132.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.373 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t 60.69 -176.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.35 171.36 13.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.444 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.95 30.1 0.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m 59.49 98.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.84 82.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.55 78.28 9.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -131.5 -46.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -86.08 -67.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.77 170.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.493 ' HB ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.61 -67.1 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 12' ' ' THR . 3.1 mp -134.98 113.79 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -73.68 -68.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.8 mt -148.84 97.53 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.9 -31.56 12.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.0 -178.86 5.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.33 35.42 4.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.19 -167.97 11.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -120.61 160.52 23.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.99 122.34 35.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -97.32 122.88 40.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 136.72 44.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -128.1 89.32 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 p-10 -79.1 99.95 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.1 mt -108.71 127.63 54.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.92 126.59 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 32' ' ' ARG . 51.2 mt -109.08 -171.57 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.733 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.16 41.79 1.46 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.549 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.89 31.07 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.929 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.02 -41.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.54 ' HB2' HD22 ' A' ' 28' ' ' LEU . 7.0 mtp180 -58.14 -171.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -166.32 148.62 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.619 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.3 mt -61.89 -36.08 80.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.14 53.19 7.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -133.33 158.47 42.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.1 m -114.26 89.26 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 pt -70.01 166.59 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -138.06 177.64 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.35 -161.63 25.7 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.76 -173.07 27.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.71 -35.25 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.073 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.22 -31.7 70.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -99.98 -31.17 11.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.76 32.44 6.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.6 tp -125.04 155.47 39.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.33 177.72 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.614 HG22 HD12 ' A' ' 70' ' ' ILE . 26.8 mm -104.74 92.41 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -96.39 -178.56 4.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.5 mt -127.07 126.36 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.559 ' HA ' HG12 ' A' ' 66' ' ' VAL . 30.6 p -138.83 39.86 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.403 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -160.82 135.8 4.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.19 115.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -91.61 139.07 24.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.68 116.39 4.45 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.531 2.154 . . . . 0.0 112.317 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.92 33.38 5.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.584 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 p -115.85 169.16 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.71 -37.04 83.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.42 69.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.94 -31.47 71.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.83 -29.51 34.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -68.96 -49.79 54.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.63 44.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mt -105.81 125.06 50.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.52 173.61 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 51' ' ' THR . 11.9 m -78.2 137.87 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.01 -28.3 8.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.419 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.31 151.82 35.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -113.19 118.94 36.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.614 HD12 HG22 ' A' ' 48' ' ' ILE . 39.4 mt -73.54 113.06 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.6 mt -78.95 -56.29 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -154.05 162.06 41.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.5 t -137.17 122.2 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.17 33.63 21.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.42 27.65 61.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.404 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.14 124.39 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.83 119.62 11.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.758 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.2 m-85 -98.6 33.69 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.3 mt -82.82 -54.05 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.406 HD21 ' C ' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -104.43 43.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.543 HD13 ' CE2' ' A' ' 78' ' ' PHE . 16.1 tt -97.31 146.75 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.08 149.26 41.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.728 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.2 t60 -60.26 -45.93 91.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.06 -38.77 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -63.51 -43.43 97.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.35 80.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 83' ' ' HIS . 28.2 t -67.45 -45.32 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -68.9 -47.62 65.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.758 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 48.0 tp -59.81 -31.56 69.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.619 HD22 ' CD1' ' A' ' 34' ' ' LEU . 20.3 mt -85.42 -30.67 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.26 69.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -177.0 -44.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.52 165.79 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -83.05 -75.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.62 128.59 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.557 HD13 HD11 ' A' ' 34' ' ' LEU . 91.6 mt -130.84 102.57 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.5 mt -100.89 85.46 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.27 146.41 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.0 m -122.65 85.5 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.26 143.1 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -99.19 159.96 14.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.86 106.12 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 101' ' ' LYS . 21.6 t -124.29 75.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 178.72 37.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.549 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.616 ' HB2' HD13 ' A' ' 106' ' ' LEU . 27.0 mmt85 -114.56 -45.21 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.688 ' N ' HD13 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -140.27 161.05 57.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.61 130.01 34.84 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.544 2.162 . . . . 0.0 112.263 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -175.69 130.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 108' ' ' HIS . . . 68.05 -68.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.79 138.29 11.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -140.43 136.87 33.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.13 37.12 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 16.1 m -112.75 -38.47 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -75.98 101.08 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -150.13 31.7 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 74.2 p -110.41 39.7 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.77 125.02 34.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.2 m0 59.85 175.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.8 pt -86.83 155.48 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -155.51 170.59 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.5 p -131.23 45.38 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.89 99.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 p -171.35 140.51 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.43 58.01 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 -45.37 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.519 2.146 . . . . 0.0 112.377 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.5 p -102.71 128.97 49.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 97.9 p -133.6 124.52 26.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.507 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -72.63 -31.41 65.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t 60.92 86.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.73 -56.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.26 178.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -141.83 177.58 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.39 112.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -56.64 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.76 72.21 1.73 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.19 -169.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 p -132.15 -77.73 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.6 p -141.24 110.91 6.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.81 107.64 12.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -109.22 -30.22 8.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.66 103.43 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.75 143.09 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -31.25 18.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.27 116.02 5.47 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.85 52.93 0.5 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -86.43 105.75 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.53 134.27 47.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -113.58 142.2 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HD3' HG21 ' A' ' 97' ' ' ILE . 1.1 ttmp? -115.36 139.84 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.64 108.6 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -87.31 122.66 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.7 mt -120.34 106.8 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.46 116.59 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.666 HD22 ' HB2' ' A' ' 32' ' ' ARG . 31.1 mt -102.06 158.43 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.98 -56.35 4.87 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.44 31.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.36 46.86 0.31 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.569 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.666 ' HB2' HD22 ' A' ' 28' ' ' LEU . 20.5 mtm180 -79.56 -3.53 47.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.627 0.251 . . . . 0.0 111.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m 59.94 178.53 0.09 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 96' ' ' LEU . 2.9 mt -112.97 -50.74 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.828 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.44 49.61 2.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.443 HD21 ' HB1' ' A' ' 59' ' ' ALA . 1.8 mt -134.23 131.81 38.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -96.42 89.0 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -72.19 168.46 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -141.12 169.2 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.41 166.03 4.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.535 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.53 -168.19 38.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.69 -36.6 57.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.89 -51.95 67.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -76.27 -29.63 57.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.89 29.58 9.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.2 tp -122.32 159.1 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.476 ' O ' HD13 ' A' ' 48' ' ' ILE . . . -66.04 -149.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.689 HG22 HD12 ' A' ' 70' ' ' ILE . 25.3 mm -129.99 92.93 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.745 0.307 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 69' ' ' GLN . 97.2 m-85 -91.19 -176.81 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 68' ' ' ASP . 32.0 mt -132.35 119.4 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -133.4 46.57 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.71 143.17 7.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.596 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.454 HG12 ' OE1' ' A' ' 60' ' ' GLU . 21.8 t -152.41 121.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.57 145.68 75.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.25 110.03 2.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.519 2.146 . . . . 0.0 112.371 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.52 34.92 34.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.3 p -94.12 173.92 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.18 -38.11 89.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -74.51 -31.58 62.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' OE1' HG12 ' A' ' 53' ' ' VAL . 2.9 tp10 -69.16 -33.21 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.81 -44.42 38.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t -60.62 -39.76 89.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.67 40.46 0.46 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.33 109.05 20.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -112.77 176.14 5.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.63 152.15 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.95 26.76 21.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.604 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.741 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -111.42 153.44 26.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 5.8 tm0? -120.43 111.78 18.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.689 HD12 HG22 ' A' ' 48' ' ' ILE . 14.6 mt -75.0 135.08 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -101.85 -51.24 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 pm0 -152.61 156.89 40.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -138.81 123.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 60.8 30.61 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.53 28.4 55.37 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.6 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -123.28 135.21 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.49 115.19 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -104.06 30.87 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 mt -92.18 -43.21 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -116.66 36.01 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 tt -91.86 148.98 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.67 151.74 37.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 87' ' ' VAL . 6.9 t60 -66.18 -41.12 90.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.27 -37.46 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.8 -37.32 87.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.37 -31.25 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.042 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 83' ' ' HIS . 30.5 t -83.46 -38.11 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -73.58 -40.67 63.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.3 tp -69.4 -38.15 77.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.8 mt -72.15 -32.7 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -106.83 71.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 t -176.01 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.92 158.23 28.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.34 -62.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.32 125.05 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.639 HD13 HD11 ' A' ' 34' ' ' LEU . 12.7 mt -133.04 112.14 11.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.48 HG21 ' HD3' ' A' ' 23' ' ' LYS . 15.0 mt -113.02 86.5 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 mp -80.3 134.72 36.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.2 m -111.89 91.29 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.657 HG12 ' HA ' ' A' ' 70' ' ' ILE . 23.5 m -101.23 169.33 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.664 ' O ' HG23 ' A' ' 103' ' ' VAL . 3.4 ptmt -118.91 157.4 27.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.57 86.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 101' ' ' LYS . 21.5 t -90.52 121.5 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 88.71 -52.21 3.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 60.56 111.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.513 HD23 ' HD2' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -85.93 139.87 35.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.513 ' HD2' HD23 ' A' ' 106' ' ' LEU . 58.2 Cg_endo -71.55 147.94 52.73 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.478 2.119 . . . . 0.0 112.282 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -66.27 -61.87 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 64.18 -79.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.084 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -90.86 165.46 13.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.4 m 70.0 -64.52 0.35 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 8.2 m 68.22 103.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.2 m -78.96 150.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -162.08 112.56 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -59.45 87.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.8 t -98.97 31.58 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.46 101.01 4.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -145.96 -174.77 4.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.7 pt -128.59 101.51 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -153.54 142.33 21.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 61.0 157.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.33 119.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.788 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.2 m -106.05 171.28 7.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.93 -97.1 0.14 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.37 -29.86 60.38 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.55 2.167 . . . . 0.0 112.247 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.38 -47.1 13.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.5 m -59.56 143.75 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.534 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 p -135.19 147.4 49.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -93.21 -45.38 7.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.8 106.14 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.24 152.2 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -147.03 155.73 42.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.47 114.15 1.57 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -166.51 32.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 106.41 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -136.97 -65.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.8 p -157.02 98.76 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -146.65 -47.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.06 131.43 36.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.57 170.38 11.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.39 102.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -96.7 163.15 13.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' H ' HD23 ' A' ' 16' ' ' LEU . 2.9 mp0 -83.33 157.51 22.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.72 96.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.53 160.13 23.71 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -118.2 112.84 20.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -130.99 125.96 34.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -103.9 133.77 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.94 150.87 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.96 97.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -75.67 112.45 12.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.3 mt -118.06 117.75 30.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.25 127.03 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.5 mt -103.21 -177.91 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.45 -84.04 1.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.442 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.21 -47.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.27 28.46 3.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -76.46 -178.49 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 m -152.52 176.89 11.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.925 HD11 HD13 ' A' ' 96' ' ' LEU . 3.8 mt -96.36 -51.47 4.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.64 30.08 7.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.464 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD11 HD13 ' A' ' 64' ' ' LEU . 27.0 mt -104.15 124.37 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -93.98 78.42 4.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.425 HG21 HD12 ' A' ' 70' ' ' ILE . 4.7 pt -69.96 164.12 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -137.07 176.28 8.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.436 ' HA3' HD23 ' A' ' 46' ' ' LEU . . . 61.65 170.13 0.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.601 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.55 -168.56 38.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.41 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.28 -55.37 8.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 111.083 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.08 -37.96 81.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -71.38 -30.08 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.15 30.27 14.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.401 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.436 HD23 ' HA3' ' A' ' 40' ' ' GLY . 32.2 tp -138.82 151.68 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.817 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.57 -178.09 4.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.545 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -101.87 95.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -101.42 -175.01 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mt -127.2 144.02 38.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.5 t -159.02 47.63 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.602 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 175.54 138.67 2.87 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.568 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 60' ' ' GLU . 21.5 t -142.83 105.53 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.073 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.9 110.74 3.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.43 122.99 11.15 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.458 2.105 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.92 32.26 30.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.8 p -104.8 -174.99 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -78.1 -31.51 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 64' ' ' LEU . . . -76.62 -33.13 58.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' HB2' HG12 ' A' ' 53' ' ' VAL . 1.6 tt0 -75.71 -34.47 60.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.15 -28.41 73.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.55 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.87 -65.63 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.03 55.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.619 HD13 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -110.64 121.47 45.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.68 -178.52 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 52' ' ' GLY . 8.1 m -95.79 129.02 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.13 -27.64 5.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.41 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.57 158.63 9.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -116.16 121.11 41.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 38' ' ' ILE . 30.4 mt -76.79 103.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.647 HD11 ' HB3' ' A' ' 101' ' ' LYS . 12.9 mt -67.99 -52.96 29.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.15 159.53 34.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.19 131.56 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.27 31.12 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.28 28.22 72.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -117.62 140.12 50.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -66.57 128.88 37.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.778 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 4.5 m-85 -122.71 30.86 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.5 mt -93.2 -52.82 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -104.99 31.45 4.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 tt -90.18 148.51 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.61 150.06 47.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.78 ' O ' HG23 ' A' ' 87' ' ' VAL . 2.1 t60 -62.51 -41.59 98.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.42 -41.58 80.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -65.47 -33.3 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -70.75 -30.98 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 83' ' ' HIS . 26.7 t -77.66 -36.46 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -40.89 27.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.778 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 29.0 tp -60.13 -40.19 88.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 86' ' ' ALA . 10.3 mt -72.05 -31.39 66.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -108.59 77.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.5 t -176.81 -45.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.58 165.57 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.7 mmt-85 -90.33 -65.95 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -79.95 103.37 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.925 HD13 HD11 ' A' ' 34' ' ' LEU . 35.1 mt -107.76 106.38 16.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.2 86.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.17 147.04 36.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.1 m -125.62 88.13 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.53 148.73 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.647 ' HB3' HD11 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -102.76 168.23 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.79 106.27 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.533 HG22 ' NZ ' ' A' ' 101' ' ' LYS . 21.5 t -124.34 82.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.67 -50.63 2.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.85 -78.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.68 147.25 89.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.8 -61.77 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.575 2.184 . . . . 0.0 112.259 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.28 121.8 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -156.52 -47.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -142.11 101.22 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.0 m -126.98 113.46 16.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 30.3 p -128.86 89.35 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.76 -64.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -76.22 148.95 37.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -101.23 30.64 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.807 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 m -94.43 -29.0 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' O ' ' CD1' ' A' ' 118' ' ' TRP . 2.9 tmmt? 61.52 23.44 13.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 117' ' ' LYS . 15.2 m95 -149.13 63.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.794 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 119' ' ' ILE . 0.9 OUTLIER -94.9 57.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 58.99 30.48 20.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.249 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.9 p -141.7 156.37 45.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.1 t -141.63 123.79 15.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.6 t -88.69 -59.42 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 148.97 145.83 4.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.45 116.33 4.65 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.533 2.155 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.2 t 59.65 85.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.9 t -158.29 -48.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.308 -1.273 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -104.69 113.87 27.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m 60.27 31.49 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.21 -179.68 42.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -105.8 152.24 23.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.57 31.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.13 90.15 2.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.532 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.78 -174.07 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.832 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.41 168.73 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.31 123.87 32.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -80.74 135.83 36.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -105.08 144.04 32.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.1 tp -143.79 -47.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -114.81 144.86 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.06 30.52 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.95 106.94 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.806 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -108.78 -31.41 7.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.52 -122.86 5.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.54 168.48 16.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.57 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -166.98 34.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.05 148.06 25.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -129.06 121.09 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HD3' HG21 ' A' ' 97' ' ' ILE . 27.5 mttt -93.85 143.62 26.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.23 84.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -69.99 128.54 36.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.712 HD21 ' HB3' ' A' ' 62' ' ' SER . 76.8 mt -126.9 135.48 51.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.68 111.31 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.49 HD22 ' CB ' ' A' ' 32' ' ' ARG . 83.5 mt -87.52 147.18 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.96 -91.89 0.64 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -133.09 99.37 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.338 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.51 71.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.377 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.49 ' CB ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -73.14 -177.3 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 110.929 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -147.47 158.37 43.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.44 HD11 HD13 ' A' ' 96' ' ' LEU . 81.4 mt -82.38 -50.72 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.97 50.45 2.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.618 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.0 mt -131.67 130.53 42.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -90.32 84.07 6.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.6 pt -70.58 161.82 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -144.82 169.42 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.62 168.14 15.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.74 169.48 38.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.88 84.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.83 -39.31 93.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -90.54 10.31 25.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.333 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.09 45.02 83.52 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.667 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 tp -143.74 161.37 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.18 -158.6 9.52 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mm -118.75 88.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -85.56 -175.03 5.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.409 HD11 ' CG1' ' A' ' 70' ' ' ILE . 32.1 mt -144.05 104.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 t -119.23 46.74 1.82 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.13 140.83 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.94 108.62 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.9 135.69 96.18 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.66 94.4 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.456 2.104 . . . . 0.0 112.382 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.12 48.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.65 -174.38 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.16 -34.37 61.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -71.21 -41.52 70.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.96 -31.42 72.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -83.43 -34.44 19.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.574 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.712 ' HB3' HD21 ' A' ' 26' ' ' LEU . 78.8 p -61.61 -70.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.08 43.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.578 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -106.17 150.26 26.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.806 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 -177.97 5.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.1 m -87.4 136.62 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.73 23.72 20.05 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.74 152.26 19.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.759 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -114.35 102.47 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.409 ' CG1' HD11 ' A' ' 50' ' ' ILE . 35.6 mt -65.95 131.28 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -96.1 -64.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.48 160.13 42.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 98' ' ' LEU . 20.0 t -142.94 124.29 11.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 60.9 30.8 19.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.42 29.56 57.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.14 140.15 53.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.5 t -70.74 117.71 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.743 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 4.0 m-85 -107.27 35.19 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.6 mt -108.94 -44.95 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -110.63 36.34 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.1 tt -103.72 153.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.53 149.57 38.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -65.84 -45.77 80.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.61 -35.33 80.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -65.47 -40.14 92.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.41 69.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.29 -42.88 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -50.73 53.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.743 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 33.5 tp -60.15 -31.36 70.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.1 mt -81.0 -32.16 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.11 70.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 t -171.51 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m -80.59 176.75 9.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -96.0 -64.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.51 131.88 34.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 34' ' ' LEU . 27.6 mt -135.91 118.94 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.416 HG21 ' HD3' ' A' ' 23' ' ' LYS . 3.8 mt -112.49 80.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.489 ' HA ' HG22 ' A' ' 73' ' ' VAL . 5.7 mp -76.23 130.76 38.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -109.25 99.56 8.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.6 m -108.33 139.95 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -98.78 166.44 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.45 95.36 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.3 110.42 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 130.92 86.51 0.39 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -146.14 175.07 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.87 100.35 12.1 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.99 133.52 29.28 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.383 2.056 . . . . 0.0 112.277 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -103.92 116.5 32.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.39 -46.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -153.02 153.94 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 60.39 178.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.3 t -159.08 37.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.34 153.61 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -152.91 -60.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 59.99 75.06 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 t -112.97 52.97 0.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.86 82.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.89 166.48 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.3 mt -62.64 124.59 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.55 31.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.4 m -151.8 31.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -87.76 65.96 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -31.18 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.68 90.07 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.25 -28.2 27.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.575 2.183 . . . . 0.0 112.296 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.53 109.3 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.7 t -101.2 168.89 9.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.344 -1.254 . . . . 0.0 112.507 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.66 120.33 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.16 99.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.21 54.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -78.07 -36.36 48.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.05 158.33 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.6 -99.82 2.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 62.7 120.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -69.29 -52.54 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -125.62 25.62 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.9 t 56.23 172.07 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.5 p -106.23 83.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 pp -148.69 136.72 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.12 -65.11 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.06 105.65 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.31 103.02 3.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -152.63 -50.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.9 -70.94 0.51 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.445 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.82 74.36 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.565 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -101.25 164.53 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -100.46 127.65 46.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -115.23 123.32 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG2' HG22 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -106.95 120.3 41.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.58 112.11 38.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -93.93 134.75 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD21 ' OG ' ' A' ' 62' ' ' SER . 18.1 mt -135.58 135.4 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.492 HG22 ' CE1' ' A' ' 95' ' ' HIS . 21.5 t -108.69 96.37 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 96' ' ' LEU . 23.4 mt -68.23 135.99 52.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.9 -101.93 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.391 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -135.04 101.1 4.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.33 34.73 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -104.15 176.09 5.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -163.08 152.16 14.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.562 HD11 HD13 ' A' ' 96' ' ' LEU . 2.5 mt -62.36 -31.76 72.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.8 35.46 92.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.717 HD11 HD22 ' A' ' 64' ' ' LEU . 17.3 mt -104.15 155.65 18.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 m -113.58 77.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.0 pt -74.38 166.14 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -143.62 177.07 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.41 164.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -169.13 -174.6 37.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.628 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -71.15 -22.01 62.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 111.37 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.95 27.92 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.133 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -147.34 20.26 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.234 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.9 26.81 8.84 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.778 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.0 tp -135.28 160.69 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.25 -163.04 37.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -105.72 116.76 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.365 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -116.58 -177.33 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 mt -132.78 146.64 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -161.67 39.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.56 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 179.6 135.94 2.56 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.454 HG22 ' CD2' ' A' ' 36' ' ' LEU . 21.6 t -137.74 127.51 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 111.02 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 149.35 75.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.59 92.93 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.574 2.183 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.81 38.98 12.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 p -89.94 177.98 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.813 0.339 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.03 -34.19 74.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.99 60.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.62 -31.91 72.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.8 -43.06 60.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.538 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.502 ' OG ' HD21 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.86 -57.06 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.334 . . . . 0.0 110.875 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.87 49.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.433 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.717 HD22 HD11 ' A' ' 36' ' ' LEU . 1.2 mp -104.79 147.44 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.01 -175.16 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 52' ' ' GLY . 15.5 m -91.36 137.95 20.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.71 -28.63 9.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 143.52 47.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.27 111.31 23.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.411 ' HA ' HG12 ' A' ' 100' ' ' VAL . 4.4 mt -69.71 112.92 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.8 mt -73.53 -65.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.52 161.0 38.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.414 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.3 t -142.56 128.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.56 35.76 20.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.3 27.99 72.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.57 126.91 44.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 110.81 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.24 116.93 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.414 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.8 m-85 -98.7 30.28 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -93.0 -31.08 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.628 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 7.3 t-20 -126.85 55.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.418 ' N ' ' HB2' ' A' ' 42' ' ' ALA . 1.1 tp -116.67 137.23 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.49 149.92 28.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.61 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.5 t60 -63.33 -38.87 92.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -72.74 -34.49 67.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.17 -38.44 60.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.48 93.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 83' ' ' HIS . 25.3 t -72.88 -49.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -46.57 89.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.74 -45.06 91.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.8 mt -59.98 -31.62 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -106.84 46.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.51 -59.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -65.8 166.04 11.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -91.25 -57.7 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.492 ' CE1' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -88.3 100.51 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 28' ' ' LEU . 12.3 mt -99.97 119.6 38.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.5 HG22 ' HG2' ' A' ' 23' ' ' LYS . 2.3 mt -115.96 82.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.77 143.25 46.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -122.73 80.03 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 70' ' ' ILE . 11.7 m -87.56 169.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 151.17 46.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.42 85.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.97 -30.5 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 173.58 44.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -100.33 170.04 8.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.3 mp -114.08 153.21 46.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.49 179.41 3.57 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.568 2.179 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.75 122.5 41.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -159.29 142.07 14.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -107.72 -39.08 5.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.661 HG22 HG12 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -116.07 93.03 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 35.84 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.661 HG12 HG22 ' A' ' 111' ' ' THR . 11.5 p -106.57 -29.4 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.217 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 61.55 113.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 60.9 163.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.11 -38.45 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -163.46 -65.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -176.71 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.9 tt -57.64 148.68 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.23 -41.92 60.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.4 t 60.61 110.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.25 153.43 33.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.51 101.03 2.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.26 151.25 27.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.99 -39.4 6.12 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.647 2.231 . . . . 0.0 112.275 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 t 69.14 -67.65 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.028 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.89 54.68 1.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.485 179.892 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -100.36 -37.08 9.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -148.07 -50.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.35 -139.09 14.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.57 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.4 p -104.7 -67.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -157.36 -50.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.67 -172.52 26.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -168.58 -42.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.717 0.294 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 93.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -131.48 -45.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m 63.11 122.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -59.8 -53.76 54.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.3 mt -80.29 112.86 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.24 35.6 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.88 150.34 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.553 HD23 ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -161.63 153.45 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -166.47 36.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.553 ' H ' HD23 ' A' ' 16' ' ' LEU . . . 145.4 -174.69 25.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.74 -139.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -102.27 58.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.41 109.96 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.522 ' O ' HG23 ' A' ' 99' ' ' THR . 16.4 ttpt -90.65 158.77 16.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -135.33 144.46 46.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.18 90.91 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -79.03 132.87 36.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.5 mt -136.75 142.68 43.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.82 90.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.682 HD11 ' CD1' ' A' ' 96' ' ' LEU . 60.5 mt -70.31 174.92 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.68 -98.71 2.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -125.09 92.42 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.38 28.19 68.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.474 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HB3' HD22 ' A' ' 28' ' ' LEU . 1.4 mmt180 -68.56 -171.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.807 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -146.22 162.01 39.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.643 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -87.42 -47.62 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.98 33.28 5.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.392 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.771 HD11 HD13 ' A' ' 64' ' ' LEU . 55.2 mt -117.65 124.71 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.899 0.381 . . . . 0.0 110.822 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -87.01 96.88 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 pt -89.54 161.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -142.73 165.28 27.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.27 154.6 6.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.71 -177.63 47.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.63 -30.22 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.72 0.295 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -32.64 45.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -93.46 13.42 21.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.231 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.9 26.63 26.98 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.717 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.3 tp -136.31 153.17 51.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.53 -170.51 7.53 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.9 mm -101.11 106.63 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.707 0.289 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -110.71 -175.8 2.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mt -125.66 152.34 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 t -167.38 38.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.712 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -172.87 146.45 9.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.572 HG23 HG13 ' A' ' 66' ' ' VAL . 21.4 t -147.72 108.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.09 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.8 142.3 94.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.33 109.5 2.93 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.516 2.144 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.05 38.15 9.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.538 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -104.68 175.27 5.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.766 0.317 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -69.85 -31.56 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.09 -49.3 24.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.21 -37.27 79.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.46 72.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -69.18 -55.78 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.32 54.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.771 HD13 HD11 ' A' ' 36' ' ' LEU . 9.5 mt -117.91 125.74 51.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -98.47 -176.94 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.712 HG12 ' N ' ' A' ' 52' ' ' GLY . 4.4 m -99.55 120.97 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.05 -25.26 4.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.08 166.2 1.64 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.5 ' N ' HG21 ' A' ' 103' ' ' VAL . 25.4 tt0 -121.74 116.53 24.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.7 mt -76.15 109.29 9.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.45 -62.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.06 164.07 31.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.5 t -144.84 128.69 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.36 30.2 19.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.72 28.16 55.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -129.81 131.48 46.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.9 m -68.55 116.49 9.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.423 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.8 m-85 -97.62 39.12 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 mt -102.71 -31.3 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -121.86 36.56 4.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.8 tt -102.59 156.77 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mp -78.24 151.88 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.48 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.8 t60 -60.35 -47.4 86.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.68 -51.91 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -60.4 -31.64 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -65.81 -46.42 78.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 83' ' ' HIS . 21.5 t -72.2 -42.11 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -67.07 -48.32 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.423 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 33.8 tp -60.5 -37.77 82.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 86' ' ' ALA . 45.1 mt -71.95 -31.09 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.38 38.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -136.45 -63.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.92 141.89 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -60.79 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -80.38 100.07 8.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.682 ' CD1' HD11 ' A' ' 28' ' ' LEU . 80.1 mt -97.36 123.13 41.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.4 mt -125.73 75.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 73' ' ' VAL . 7.0 mp -69.62 143.49 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 22' ' ' LYS . 2.5 m -120.82 98.69 6.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.1 m -107.79 162.03 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 103' ' ' VAL . 36.5 pttt -124.47 172.37 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -68.59 101.72 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 103' ' ' VAL . 14.4 t -108.31 34.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -172.84 70.75 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.541 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -82.75 96.32 8.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.785 0.326 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.84 120.34 5.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.47 -176.27 1.9 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.451 2.101 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -73.19 165.62 24.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -136.5 170.32 16.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -155.78 31.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.9 p -142.21 51.5 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.2 p -98.24 35.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 113' ' ' VAL . 10.8 p -156.1 112.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.01 171.56 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -134.38 122.8 23.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.61 -47.33 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.58 30.71 14.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -127.76 -51.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.4 pp -100.99 -178.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -144.81 139.22 27.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.68 102.8 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 m -115.23 -49.06 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.72 -48.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 153.79 162.99 11.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.2 172.09 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.618 2.212 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.54 81.13 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -31.7 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.56 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -157.29 114.75 3.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.368 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -152.67 158.93 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.91 52.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.36 45.91 0.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.959 0.409 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -142.23 -49.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.43 155.63 16.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -119.77 -42.17 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -74.0 134.64 43.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.87 131.49 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.61 85.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 p -153.71 32.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.26 114.43 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.96 -178.52 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.5 112.21 11.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.08 -65.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -135.92 112.7 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.9 139.97 14.83 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.93 -124.05 0.72 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.34 49.28 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG2' HD12 ' A' ' 71' ' ' LEU . 1.2 mt-10 -80.02 145.47 32.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -123.14 122.57 38.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 145.0 25.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.59 97.02 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -88.47 124.95 34.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.8 mt -129.41 130.53 46.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.03 116.3 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.763 HD22 ' HB3' ' A' ' 32' ' ' ARG . 37.9 mt -95.77 158.88 15.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.69 -68.02 1.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -162.84 -47.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.93 26.95 8.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.417 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.763 ' HB3' HD22 ' A' ' 28' ' ' LEU . 2.0 mmp_? -82.34 -176.56 6.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.97 168.05 28.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 90' ' ' LEU . 15.3 mt -84.04 -41.53 17.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.97 37.46 33.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.586 HD11 HD13 ' A' ' 64' ' ' LEU . 32.6 mt -120.4 128.75 53.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -93.35 82.62 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.8 pt -72.09 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.31 167.51 25.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.63 160.46 2.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.78 -173.91 46.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.38 -30.61 68.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.044 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.33 -27.52 61.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -103.81 11.68 35.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.389 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.73 33.57 42.48 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.719 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.0 tp -137.13 153.76 50.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.65 -159.23 0.25 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -117.78 108.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 58.9 m-85 -109.54 -175.31 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 68' ' ' ASP . 30.4 mt -127.47 141.15 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.561 ' HA ' HG12 ' A' ' 66' ' ' VAL . 7.2 t -152.04 43.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.577 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -175.11 154.08 17.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.597 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -151.37 127.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.93 111.18 48.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 91.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.47 2.113 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.64 42.28 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -122.42 172.43 8.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.57 -31.61 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.58 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.16 -31.34 64.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.93 -34.04 22.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -60.36 -60.89 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.57 54.33 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 36' ' ' LEU . 37.0 mt -124.11 139.61 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -132.31 -178.18 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.577 HG12 ' N ' ' A' ' 52' ' ' GLY . 12.2 m -78.98 117.16 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.35 -26.61 3.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.545 ' HA ' HG21 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -58.67 148.06 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.89 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.423 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -116.35 117.19 29.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.06 123.9 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.537 HD12 ' HG2' ' A' ' 21' ' ' GLU . 44.6 mt -89.23 -42.99 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.78 154.67 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.694 HG22 ' HA ' ' A' ' 98' ' ' LEU . 19.9 t -138.44 129.53 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 60.76 30.92 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.33 28.45 67.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -120.77 138.29 54.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 129.5 40.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.64 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 4.1 m-85 -116.71 33.36 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -100.13 -36.31 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -114.67 31.29 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 tt -95.0 133.91 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.16 161.11 9.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.769 ' O ' HG23 ' A' ' 87' ' ' VAL . 86.5 t60 -72.37 -31.48 65.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.53 -44.88 33.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.6 -37.41 84.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.08 80.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 83' ' ' HIS . 30.7 t -65.95 -31.51 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -37.17 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.64 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 19.8 tp -65.65 -53.99 33.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 34' ' ' LEU . 78.2 mt -59.84 -34.2 72.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -101.85 57.38 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 t -152.36 -64.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t -61.84 149.71 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -31.38 53.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.515 ' O ' HD23 ' A' ' 96' ' ' LEU . 2.0 t-160 -109.75 125.22 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 95' ' ' HIS . 20.8 mt -128.75 124.2 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.06 72.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.694 ' HA ' HG22 ' A' ' 73' ' ' VAL . 4.7 mp -62.89 147.46 50.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -123.37 80.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.9 m -94.8 154.27 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -100.81 170.11 8.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.61 94.36 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.545 HG21 ' HA ' ' A' ' 68' ' ' ASP . 21.4 t -95.58 -32.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.39 65.54 0.77 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.561 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.2 -52.68 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.43 77.75 0.61 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.85 -29.47 18.63 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.342 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.11 145.41 46.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -150.0 105.62 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -72.29 -56.71 5.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.0 m -70.34 135.58 48.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 28.1 m -100.36 -52.43 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.54 112.44 29.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.7 -38.92 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 60.76 47.26 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.7 p -139.89 40.36 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -164.49 -59.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -62.08 -40.18 94.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 119' ' ' ILE . 7.2 tp -124.0 124.73 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -92.21 103.69 16.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.48 125.21 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.12 152.34 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.1 m -128.89 158.55 38.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 123.84 164.28 11.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.489 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.94 -45.27 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.565 2.176 . . . . 0.0 112.296 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.2 p -117.76 97.59 5.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 t -114.55 -176.68 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.559 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t 60.73 32.8 20.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.45 -40.66 8.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.57 128.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.406 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 p -119.84 86.34 2.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -116.98 103.96 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.6 -94.02 0.24 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.08 109.06 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.11 30.55 3.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.94 152.66 30.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.86 160.42 20.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -133.65 167.98 19.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -131.53 84.92 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.25 94.4 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tp -132.57 97.62 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -145.43 -48.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -155.94 -54.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.79 -170.8 38.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.529 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.96 157.97 53.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.66 97.28 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.27 115.31 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -98.84 118.0 34.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -93.72 145.98 24.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.508 HG21 HD21 ' A' ' 64' ' ' LEU . 21.5 t -136.84 83.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -75.21 128.24 35.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 mt -131.27 141.54 50.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.92 113.62 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -97.02 166.81 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.11 -86.34 1.91 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.459 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.5 32.88 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.66 58.33 1.53 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -77.03 -4.8 46.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.591 0.234 . . . . 0.0 111.418 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.19 165.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.952 HD21 HD12 ' A' ' 96' ' ' LEU . 55.8 mt -94.63 -44.91 7.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.74 41.38 6.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' HB1' ' A' ' 59' ' ' ALA . 77.8 mt -118.26 133.34 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -93.65 78.6 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.74 155.12 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.067 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.64 153.18 42.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.45 152.3 20.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.25 -168.81 41.48 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HB3' HD23 ' A' ' 82' ' ' LEU . . . -61.64 -30.61 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.081 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.01 -33.84 76.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -109.8 20.07 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.88 25.27 15.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.676 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 tp -121.29 161.44 21.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.95 -146.77 0.4 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.495 HG22 HD12 ' A' ' 70' ' ' ILE . 25.4 mm -127.15 107.59 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.894 0.378 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.443 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 65.7 m-85 -114.98 176.34 5.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 68' ' ' ASP . 31.6 mt -120.62 138.82 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.8 t -143.77 38.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.568 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 179.24 138.8 3.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.07 114.47 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.02 135.8 95.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.75 117.97 4.92 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.469 2.113 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.87 42.59 16.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 p -114.25 175.79 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -67.6 -39.41 84.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.601 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -74.05 -31.34 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -31.19 68.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.04 -39.08 92.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -41.56 99.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.1 36.76 0.85 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.601 HD12 ' HB1' ' A' ' 59' ' ' ALA . 92.7 mt -86.72 128.06 35.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -115.48 174.47 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 52' ' ' GLY . 27.4 m -78.13 135.86 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.099 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.6 -24.92 8.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.463 ' HB2' HD12 ' A' ' 50' ' ' ILE . 9.3 m-20 -57.22 152.36 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 111.074 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.443 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.1 tm0? -116.93 113.4 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.495 HD12 HG22 ' A' ' 48' ' ' ILE . 39.7 mt -73.06 103.22 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.3 mt -73.66 -40.75 63.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' OE2' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -164.62 163.35 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.57 HG22 ' HG ' ' A' ' 98' ' ' LEU . 21.5 t -145.36 124.09 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.9 m120 60.35 31.14 20.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.81 32.53 49.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -126.47 132.18 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -67.64 117.74 9.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -102.59 43.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.53 -49.91 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.63 32.17 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.9 tt -87.96 153.01 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 42' ' ' ALA . 66.8 mt -75.12 149.77 38.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -62.94 -36.0 81.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -73.93 -35.16 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -68.94 -33.28 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.88 -45.86 84.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.9 t -71.84 -40.38 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -31.45 67.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.1 tp -80.77 -33.53 34.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.552 HD22 ' CD1' ' A' ' 34' ' ' LEU . 21.5 mt -75.92 -32.72 59.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -109.17 70.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.5 t -171.59 -51.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m -72.4 140.36 48.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -72.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -79.63 123.96 28.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.952 HD12 HD21 ' A' ' 34' ' ' LEU . 30.2 mt -123.13 126.7 47.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.83 96.73 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HG ' HG22 ' A' ' 73' ' ' VAL . 6.6 mp -85.71 164.24 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.486 HG21 ' OE2' ' A' ' 72' ' ' GLU . 37.5 m -138.47 82.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.56 163.45 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.524 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.3 pttt -116.95 154.92 30.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -64.04 103.61 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 101' ' ' LYS . 26.9 t -110.5 -64.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -89.24 68.79 2.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.582 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -88.09 -64.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.2 mt -82.25 160.37 62.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.04 165.4 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.553 2.169 . . . . 0.0 112.302 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -100.33 -67.43 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 55.35 -169.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.16 155.97 24.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.7 m 60.83 100.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -68.11 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.8 m -141.46 179.61 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -127.54 -50.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.32 32.6 22.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 116' ' ' THR . 13.0 m -99.71 36.85 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -133.59 99.28 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -87.9 127.55 35.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.6 pp -70.6 -179.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.199 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -169.72 -44.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.072 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.1 m -150.7 -49.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.59 -173.79 3.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m -169.61 155.08 5.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -93.69 -55.56 1.52 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.2 110.9 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.674 2.249 . . . . 0.0 112.254 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.38 -69.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.59 154.28 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.555 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.41 31.63 20.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.17 114.22 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.94 153.93 20.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 m -131.98 92.73 3.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -65.83 166.3 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.47 -85.61 0.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.404 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -108.36 122.17 46.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.72 36.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 ttp85 -66.6 -31.72 72.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -166.08 87.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -138.81 -61.13 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.568 HD13 ' H ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -129.14 150.65 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.568 ' H ' HD13 ' A' ' 13' ' ' LEU . 93.6 m-70 60.7 107.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -104.62 37.36 2.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.49 31.6 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.764 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -99.83 -57.11 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.97 -159.77 21.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.42 130.14 11.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -114.4 177.85 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -94.01 164.73 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -145.57 110.54 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.404 ' NZ ' HG21 ' A' ' 97' ' ' ILE . 3.6 tttm -89.47 130.31 35.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.57 95.75 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -81.87 141.71 33.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.667 HD12 ' CD2' ' A' ' 34' ' ' LEU . 60.3 mt -130.18 119.46 22.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.655 HG22 ' CE1' ' A' ' 95' ' ' HIS . 27.8 t -91.54 100.03 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.647 HD11 HD11 ' A' ' 96' ' ' LEU . 73.1 mt -83.94 138.49 33.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.84 -69.2 1.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -152.7 -65.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.67 33.71 6.02 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HB3' HD22 ' A' ' 28' ' ' LEU . 7.0 mmt85 -92.07 171.13 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 p -154.29 173.41 16.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.667 ' CD2' HD12 ' A' ' 26' ' ' LEU . 15.7 mt -87.69 -33.14 18.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.83 32.53 82.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD22 HG21 ' A' ' 50' ' ' ILE . 15.4 mt -107.22 152.06 24.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 m -107.77 105.15 14.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.412 HD11 ' CG2' ' A' ' 87' ' ' VAL . 12.8 pt -88.32 173.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.13 172.61 13.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.642 ' CA ' HD23 ' A' ' 46' ' ' LEU . . . 58.99 166.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -164.98 -171.18 30.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.563 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.28 -50.14 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -57.48 -33.3 67.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -84.74 -25.68 28.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.18 27.47 25.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.323 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.642 HD23 ' CA ' ' A' ' 40' ' ' GLY . 32.0 tp -122.27 153.65 38.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.65 -166.31 4.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mm -115.38 81.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 69' ' ' GLN . 47.7 m-85 -84.43 -174.93 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.455 HG21 HD22 ' A' ' 36' ' ' LEU . 21.6 mt -138.59 128.33 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 t -137.19 31.69 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.472 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -165.79 141.52 7.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.634 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.47 116.71 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.06 145.61 84.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.17 1.53 9.09 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.644 2.229 . . . . 0.0 112.848 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.57 41.06 0.8 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 p -107.04 -178.01 3.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -83.58 -30.4 27.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.42 80.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -40.3 96.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.46 -28.43 59.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.573 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.13 -59.34 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.98 49.9 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mt -120.6 138.68 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 -177.63 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 52' ' ' GLY . 12.6 m -77.69 157.85 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.34 -28.26 13.86 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.542 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.19 141.53 58.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.3 tt0 -110.84 116.62 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.67 114.05 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.55 -44.15 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -160.69 158.69 29.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.422 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 21.5 t -145.16 129.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.417 ' OD1' HG12 ' A' ' 73' ' ' VAL . 26.6 m120 60.5 30.46 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.3 28.23 64.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.0 140.01 53.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.309 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 t -72.5 115.73 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.422 ' CZ ' ' HB ' ' A' ' 73' ' ' VAL . 4.0 m-85 -100.29 38.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 68.9 mt -106.28 -33.8 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -118.43 34.08 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.5 tt -103.66 143.12 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.47 163.59 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.467 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.2 t60 -71.03 -49.04 49.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -64.96 -38.01 89.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -62.62 -42.63 99.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.36 -33.56 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 83' ' ' HIS . 21.7 t -80.95 -40.38 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -39.14 68.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.4 tp -71.27 -31.42 67.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.542 ' HB3' HD12 ' A' ' 34' ' ' LEU . 14.8 mt -79.55 -34.87 40.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.26 72.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.67 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.86 155.67 37.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -66.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.655 ' CE1' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -90.72 142.3 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 34' ' ' LEU . 7.2 mt -137.17 110.53 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.404 HG21 ' NZ ' ' A' ' 23' ' ' LYS . 1.9 mp -111.32 92.94 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.38 150.05 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.8 m -127.54 79.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.3 m -90.58 152.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -106.58 158.95 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.8 117.03 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 101' ' ' LYS . 21.5 t -125.57 105.08 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 72.76 52.85 8.92 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.566 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -43.65 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.511 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -120.64 134.67 24.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.33 139.72 13.26 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.513 2.142 . . . . 0.0 112.377 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.415 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 20.9 p-80 -80.98 -15.95 54.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 108' ' ' HIS . . . 67.73 170.63 0.27 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.36 . . . . 0.0 111.188 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.98 -177.14 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 m 65.95 126.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.1 t -127.56 127.72 44.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.23 -41.69 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.49 88.24 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -139.73 -48.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.5 p -126.01 34.57 4.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.97 81.24 1.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -126.81 -54.23 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.4 pt -126.69 109.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 59.97 -176.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.93 169.47 8.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 59.2 m -151.05 -178.06 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.69 33.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.3 168.91 9.23 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.25 162.86 1.85 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.643 2.229 . . . . 0.0 112.286 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.4 t -74.81 103.45 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.65 140.0 31.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.323 -1.265 . . . . 0.0 112.465 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.67 147.48 30.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 p -95.72 -35.34 11.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.79 -60.23 4.64 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 p -65.17 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.28 126.5 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.85 -61.51 1.0 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.553 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -163.72 126.13 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -90.4 83.74 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -82.4 105.81 13.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -130.8 146.5 52.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -136.9 -66.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.24 138.3 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.57 161.87 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.52 120.23 32.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.83 179.22 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.28 149.59 49.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.71 -154.83 8.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.8 -173.94 35.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.98 128.18 34.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HG2' HD12 ' A' ' 71' ' ' LEU . 0.8 OUTLIER -95.58 143.75 26.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -95.57 110.43 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 134.94 42.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.35 99.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.44 114.8 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD21 ' OG ' ' A' ' 62' ' ' SER . 96.8 mt -114.62 109.14 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.86 103.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.794 HD11 HD11 ' A' ' 96' ' ' LEU . 17.0 mt -83.72 -174.69 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.81 -82.08 0.5 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.388 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.24 30.76 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.99 56.74 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.412 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.516 ' HB2' HD22 ' A' ' 28' ' ' LEU . 16.2 mtm-85 -77.07 -5.87 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.589 0.233 . . . . 0.0 111.376 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m 58.53 164.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.618 HD11 HD13 ' A' ' 96' ' ' LEU . 5.3 mt -93.93 -57.93 2.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.94 30.58 6.66 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.814 HD11 HD13 ' A' ' 64' ' ' LEU . 64.7 mt -106.52 155.91 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -117.55 84.82 2.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.423 HG22 HG12 ' A' ' 50' ' ' ILE . 3.6 pt -83.12 144.37 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.196 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.16 146.26 46.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.23 145.03 7.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.49 -154.21 15.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.426 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.95 -31.15 70.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.58 -31.67 72.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -110.76 16.53 21.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.321 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.87 25.42 15.99 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.716 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 tp -124.89 157.37 36.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.39 173.69 19.62 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 mm -90.05 122.31 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -126.81 -176.35 3.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' ' 68' ' ' ASP . 27.1 mt -130.21 149.32 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 50' ' ' ILE . 37.5 p -157.75 35.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.39 150.8 10.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.629 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.98 135.52 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.18 148.52 98.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.84 62.31 3.1 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.597 2.198 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.65 98.65 2.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.69 -171.27 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.56 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.46 -49.47 14.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.26 -36.65 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.6 -30.01 60.69 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.695 ' OG ' HD21 ' A' ' 26' ' ' LEU . 1.3 m -68.11 -68.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.84 59.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.814 HD13 HD11 ' A' ' 36' ' ' LEU . 1.6 mt -108.32 171.73 7.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.14 177.86 7.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.5 m -98.78 31.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.76 28.62 0.6 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.439 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.545 ' HB2' HD12 ' A' ' 50' ' ' ILE . 80.0 m-20 -96.41 162.54 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -122.24 122.8 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.9 mt -80.83 115.65 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.437 HD12 ' HG2' ' A' ' 21' ' ' GLU . 77.8 mt -84.41 -38.08 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.12 162.16 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.97 118.87 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 60.59 31.15 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.56 28.72 46.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.11 140.56 50.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.54 111.46 12.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.735 ' CD2' HG21 ' A' ' 81' ' ' ILE . 5.2 m-85 -103.93 32.94 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.1 -31.63 27.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -139.61 41.95 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.735 HG21 ' CD2' ' A' ' 78' ' ' PHE . 1.2 tt -88.39 142.75 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.18 152.99 31.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -60.03 -52.2 66.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.68 -49.99 75.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.2 -31.03 70.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.93 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.071 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 t -68.02 -45.67 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.82 -48.98 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.694 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 21.3 tp -60.79 -33.66 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.497 HD22 HD13 ' A' ' 34' ' ' LEU . 13.2 mt -77.06 -35.16 56.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -106.2 70.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -171.33 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -79.13 148.6 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -71.46 -61.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -76.43 131.85 39.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.794 HD11 HD11 ' A' ' 28' ' ' LEU . 20.2 mt -135.03 108.19 7.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.2 82.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.62 147.44 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 m -121.22 91.52 3.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.33 158.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 103' ' ' VAL . 22.7 pttt -121.7 165.24 16.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -63.94 97.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.741 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 103' ' ' VAL . 17.6 t -98.18 31.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.32 -42.75 1.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.568 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 69.41 -63.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.742 0.306 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 tp 65.43 80.93 0.22 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.93 -42.95 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.689 2.259 . . . . 0.0 112.245 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -167.15 -58.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.71 171.98 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -64.84 -34.34 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.5 t -76.02 162.5 28.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 78.3 p -100.5 31.72 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 113' ' ' VAL . 12.6 p -152.5 114.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -97.79 -31.51 12.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.84 124.75 25.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.7 p -139.61 60.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm 60.02 76.52 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -111.31 -31.68 6.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.53 137.42 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -147.45 123.65 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t 60.52 88.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.92 106.34 16.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.5 p -82.49 -177.17 6.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.97 -67.67 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.03 114.59 3.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.541 2.16 . . . . 0.0 112.296 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 t -115.11 96.98 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -96.46 100.82 12.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.444 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -81.41 127.76 33.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.804 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 p -111.92 134.46 53.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.29 30.71 0.37 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -144.17 32.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 t -75.02 155.77 36.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.46 94.12 1.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.462 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.35 124.24 46.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.48 -45.68 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -129.96 135.83 48.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.4 p -75.08 -76.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -113.8 132.63 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.644 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.1 pt? -129.6 -41.05 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.38 171.5 9.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mt -149.38 127.48 12.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.58 HD13 ' H ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -80.05 155.84 27.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.58 ' H ' HD13 ' A' ' 16' ' ' LEU . 47.9 mm-40 63.3 111.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.87 153.77 0.45 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.97 -138.25 10.02 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -133.38 89.9 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.56 128.08 53.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -107.64 114.77 28.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.491 ' HG2' HG22 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -99.35 122.49 42.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -112.34 90.82 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -77.49 120.4 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 62' ' ' SER . 88.1 mt -117.11 117.25 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.05 93.44 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.029 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD22 ' C ' ' A' ' 32' ' ' ARG . 77.6 mt -58.04 132.94 54.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.16 92.48 1.65 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.693 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.77 76.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 111.166 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 54.03 37.24 57.99 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.867 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.505 ' C ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -69.62 -175.93 0.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 0.0 110.782 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -122.39 164.24 18.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.648 HD21 HD12 ' A' ' 96' ' ' LEU . 78.6 mt -91.74 -41.84 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.6 43.35 29.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.495 HD22 HG21 ' A' ' 50' ' ' ILE . 15.7 mt -117.7 133.64 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 m -94.34 78.66 3.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.2 pt -77.06 159.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -138.68 166.97 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.8 158.58 25.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.553 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.08 -177.71 47.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.28 -32.28 70.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -46.11 75.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -85.93 4.23 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.376 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.25 44.85 94.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.563 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.5 tp -139.24 155.77 47.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.86 -163.0 4.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.62 HG22 HD12 ' A' ' 70' ' ' ILE . 25.9 mm -114.07 105.95 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -112.07 179.17 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.495 HG21 HD22 ' A' ' 36' ' ' LEU . 4.7 mt -127.32 132.42 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -143.26 41.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.71 149.39 11.94 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.718 HG12 ' OE1' ' A' ' 60' ' ' GLU . 21.6 t -152.27 96.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.35 111.15 4.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.05 108.13 0.26 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.45 2.1 . . . . 0.0 112.299 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.7 30.11 4.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.2 p -107.59 165.23 11.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.14 -32.0 70.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.37 -35.74 54.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.718 ' OE1' HG12 ' A' ' 53' ' ' VAL . 2.0 tp10 -61.72 -34.91 76.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.87 57.11 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.627 ' HB2' HD21 ' A' ' 26' ' ' LEU . 3.2 t -62.62 -44.77 95.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.87 35.73 0.88 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.1 mt -90.04 127.63 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.5 175.35 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.6 m -86.0 172.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.06 14.66 80.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.736 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.474 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -93.6 173.38 7.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.79 111.52 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.62 HD12 HG22 ' A' ' 48' ' ' ILE . 27.9 mt -74.75 106.56 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 101' ' ' LYS . 14.4 mt -73.93 -65.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -144.42 153.86 42.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.516 HG22 ' HG ' ' A' ' 98' ' ' LEU . 21.4 t -131.62 127.28 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.2 m120 60.33 31.23 20.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.82 30.13 64.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -127.65 141.42 51.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 m -63.17 128.39 35.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.428 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -122.3 30.44 6.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.5 mt -95.08 -55.98 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -98.3 38.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.989 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.3 tt -96.77 150.77 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.66 154.85 41.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.35 -36.4 82.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -73.96 -34.93 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.73 -34.07 69.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.8 -31.75 72.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.63 -43.32 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -68.6 -31.25 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.414 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 25.5 tp -80.08 -31.37 39.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' A' ' 34' ' ' LEU . 14.9 mt -81.65 -33.62 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.37 68.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.03 -62.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 m -69.91 132.16 45.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -74.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -69.96 124.24 23.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.648 HD12 HD21 ' A' ' 34' ' ' LEU . 65.5 mt -127.32 114.58 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.491 HG22 ' HG2' ' A' ' 23' ' ' LYS . 16.0 mt -110.32 91.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 73' ' ' VAL . 5.3 mp -83.61 155.52 23.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.66 95.32 3.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.44 143.72 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.443 ' HB3' HD11 ' A' ' 71' ' ' LEU . 19.5 pttt -106.63 164.1 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.36 115.97 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 68' ' ' ASP . 21.8 t -104.56 -32.48 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.05 115.69 4.73 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -58.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -89.48 145.24 33.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.81 103.5 1.66 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.518 2.146 . . . . 0.0 112.276 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -170.47 173.39 5.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -146.56 30.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.86 69.06 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.8 p -133.71 123.5 25.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.18 -64.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.08 -47.72 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -113.42 -176.76 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.86 35.25 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.3 m -111.99 -37.25 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -70.44 134.0 47.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -139.03 109.94 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.5 pt -61.6 146.27 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -105.01 -43.74 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.8 m -148.94 89.01 1.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.0 m -116.09 -48.5 2.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.8 m -132.49 116.91 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.03 163.38 12.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.428 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.08 62.76 2.55 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.494 2.13 . . . . 0.0 112.328 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.4 m -90.99 -31.66 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.7 t -83.45 -31.2 26.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.519 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -150.67 168.57 23.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 p -115.46 -39.47 3.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.31 -171.89 28.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -149.55 96.22 2.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.84 129.86 34.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.68 72.56 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.563 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.13 -75.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.835 0.35 . . . . 0.0 111.0 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? 61.53 155.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.61 165.85 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -58.8 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.41 36.44 20.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' C ' HD23 ' A' ' 13' ' ' LEU . 9.9 tt -166.37 101.99 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -117.78 153.84 32.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.56 159.43 26.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.71 131.43 55.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -146.0 153.14 40.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.89 95.27 1.88 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.534 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.82 -132.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.28 127.92 33.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.771 0.32 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -108.3 128.99 55.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -112.37 122.4 47.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.41 148.04 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.7 88.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -80.67 143.8 32.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 62' ' ' SER . 65.8 mt -146.28 132.64 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.44 92.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 93' ' ' SER . 85.1 mt -63.53 155.54 29.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.6 -95.25 1.84 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.577 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -130.12 108.48 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.69 27.41 73.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.623 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.604 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.9 mmt85 -79.83 177.35 8.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.745 0.307 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m -150.2 167.35 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.761 HD11 HD13 ' A' ' 96' ' ' LEU . 76.9 mt -86.34 -35.54 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.72 33.01 58.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -106.3 149.97 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -113.53 84.62 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 pt -84.67 163.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.69 179.36 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.682 ' CA ' HD23 ' A' ' 46' ' ' LEU . . . 69.61 174.68 12.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.12 179.55 48.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.393 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.73 66.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 111.075 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -34.23 73.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -97.18 13.58 28.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.293 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 53.56 31.57 44.67 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.709 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.682 HD23 ' CA ' ' A' ' 40' ' ' GLY . 29.0 tp -124.2 134.74 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.63 -166.83 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 70' ' ' ILE . 28.3 mm -109.1 101.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.435 ' CD2' ' HG2' ' A' ' 69' ' ' GLN . 83.7 m-85 -101.35 -174.99 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.0 mt -134.41 135.4 54.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 p -147.47 36.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.99 137.77 3.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.582 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.13 119.7 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.41 137.05 55.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.67 113.4 3.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.552 2.168 . . . . 0.0 112.364 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.15 -27.47 8.55 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -58.92 170.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.0 -44.37 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.41 70.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -32.75 63.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.59 -28.43 43.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.581 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -64.66 -55.5 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.59 56.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mt -107.32 171.79 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.82 -179.71 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 66' ' ' VAL . 5.9 m -98.62 102.11 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.82 -20.51 2.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.619 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -55.81 151.45 11.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.871 0.367 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.435 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 14.0 tm0? -112.85 107.01 15.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 48' ' ' ILE . 4.8 mt -64.72 109.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.428 HD21 ' HD2' ' A' ' 101' ' ' LYS . 27.9 mt -74.22 -48.96 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.28 161.73 37.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.431 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.9 t -140.96 127.12 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 60.39 31.25 20.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.67 28.25 63.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 ttt-85 -125.08 137.32 54.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.325 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.73 123.66 19.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' CE1' HD23 ' A' ' 89' ' ' LEU . 1.3 m-85 -110.89 31.01 6.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 mt -100.35 -41.57 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -111.89 32.97 5.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 tt -94.4 145.46 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.99 154.8 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -64.1 -54.22 37.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -64.28 -34.41 78.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.15 -34.93 79.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.16 83.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.22 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -35.01 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.785 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 78' ' ' PHE . 56.3 tp -76.09 -41.8 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.31 -31.87 62.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -108.31 73.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.5 t -175.94 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -64.6 152.31 42.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -32.9 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.05 124.1 49.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 34' ' ' LEU . 9.6 mt -130.69 118.03 20.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.13 72.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.07 132.03 47.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 m -113.29 92.28 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.3 m -91.92 163.97 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.428 ' HD2' HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -114.34 154.11 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.84 108.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.53 -34.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.4 114.45 4.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.74 178.49 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.8 mt -135.55 119.3 12.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.53 -20.25 41.57 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.506 2.137 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 64.69 -172.51 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.64 120.98 26.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.03 -44.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.56 173.71 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.2 p -89.61 163.96 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.1 p -97.78 142.98 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.66 175.75 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.92 78.58 8.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.7 p -102.79 40.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -98.62 136.75 38.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.413 ' HA ' ' CE3' ' A' ' 118' ' ' TRP . 0.0 OUTLIER 59.63 92.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.2 pt -118.03 -39.99 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.84 161.15 37.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.6 p -117.32 178.59 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.994 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.34 156.61 45.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 p -74.88 -31.66 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.5 77.09 0.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.89 -179.97 3.35 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.586 2.191 . . . . 0.0 112.267 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.5 t -77.53 102.04 6.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.1 m -87.55 -57.55 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.55 91.34 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -110.38 -35.82 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.82 -86.33 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 t -142.42 162.52 35.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.98 156.85 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.72 -139.56 2.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -151.74 -57.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.14 120.63 9.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.563 HH12 HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -168.71 34.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -113.6 59.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.25 31.31 5.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD11 HH12 ' A' ' 10' ' ' ARG . 4.4 mp -108.83 88.96 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -154.62 170.64 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mt -124.2 108.82 12.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tp -106.28 80.44 1.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -146.88 178.85 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 149.13 -54.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.6 28.95 11.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.75 119.39 26.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -83.51 136.78 34.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -95.72 132.38 40.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -112.99 137.54 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 t -127.75 92.06 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -80.75 127.12 32.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' CD2' ' A' ' 34' ' ' LEU . 18.8 mt -129.98 130.48 45.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.55 106.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.8 mt -91.19 127.88 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.09 -88.4 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.569 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -101.33 39.96 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.12 59.07 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -76.81 -5.17 47.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.629 0.252 . . . . 0.0 111.441 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m 59.0 169.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.823 0.344 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.615 ' CD2' HD12 ' A' ' 26' ' ' LEU . 12.1 mt -89.65 -62.41 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.53 40.6 2.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD21 ' HB1' ' A' ' 59' ' ' ALA . 1.2 mt -124.65 148.0 48.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 m -104.25 90.89 3.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.0 pt -84.46 137.11 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 ptt85 -121.35 158.96 27.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.58 148.27 8.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -164.75 -175.56 35.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -66.65 -30.4 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.078 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -32.74 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -95.07 16.41 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.253 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.01 26.33 19.12 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.745 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.8 tp -130.5 146.94 52.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.11 -179.29 21.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 81' ' ' ILE . 28.2 mm -91.51 117.67 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -115.12 -177.58 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.0 mt -130.97 140.35 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.415 ' HA ' HG12 ' A' ' 66' ' ' VAL . 9.5 t -163.09 43.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.478 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -163.4 146.74 11.99 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.485 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -148.94 115.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.74 0.305 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.41 129.37 92.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.55 103.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.417 2.078 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.65 70.58 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 p -130.22 179.5 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.17 -51.6 65.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.591 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -60.25 -31.14 69.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -70.2 -36.2 74.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.37 -39.85 21.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -69.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.91 61.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.591 HD12 ' HB1' ' A' ' 59' ' ' ALA . 46.4 mt -123.21 122.39 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.63 -174.91 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 52' ' ' GLY . 14.5 m -95.16 136.88 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.1 -27.86 9.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -60.26 156.32 15.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.306 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -117.29 122.86 45.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.74 ' HA ' HG12 ' A' ' 100' ' ' VAL . 32.3 mt -77.95 133.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.88 -48.4 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -160.88 159.59 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.1 t -141.82 126.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 60.38 31.28 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.76 27.39 67.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.07 146.16 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -74.64 118.0 17.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -109.15 29.78 7.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.0 mt -94.14 -51.61 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.769 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.507 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 17.5 t-20 -107.84 31.53 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.5 HG23 HD11 ' A' ' 48' ' ' ILE . 3.4 tt -84.71 147.54 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -74.07 155.33 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.832 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.1 t60 -62.9 -42.93 99.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.18 -40.15 74.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -63.28 -45.88 89.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.0 72.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 83' ' ' HIS . 27.5 t -77.09 -46.94 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -66.44 -44.57 82.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.64 -32.79 74.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 90' ' ' LEU . 31.1 mt -81.31 -21.17 39.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.93 57.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -158.74 -57.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -59.05 173.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.16 -35.5 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.476 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.1 t-160 -108.76 116.79 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 95' ' ' HIS . 8.9 mt -122.92 103.32 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.3 mt -107.77 77.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.559 ' HA ' HG22 ' A' ' 73' ' ' VAL . 4.0 mp -66.96 144.26 56.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 m -120.05 91.67 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' A' ' 70' ' ' ILE . 31.3 m -104.43 159.64 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -107.38 141.73 38.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.69 97.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.79 113.65 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 82.18 15.14 75.26 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.825 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.71 103.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.915 0.388 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' A' ' 107' ' ' PRO . 0.7 OUTLIER -83.05 145.99 50.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.771 ' HD2' HD23 ' A' ' 106' ' ' LEU . 58.6 Cg_endo -71.62 114.13 3.85 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.54 2.16 . . . . 0.0 112.396 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -76.91 143.74 39.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 163.12 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 60.61 86.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.98 -48.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 t -91.94 64.66 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 114' ' ' ASP . 21.4 t -65.52 157.51 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.453 ' N ' HG12 ' A' ' 113' ' ' VAL . 1.2 t0 -66.73 177.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -106.54 61.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 p -116.57 31.63 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -133.82 119.49 19.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -162.18 110.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 119' ' ' ILE . 17.5 tt -132.75 122.56 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -102.19 178.38 4.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.3 m -151.32 117.83 5.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 m -77.28 -47.64 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.5 p -170.86 -46.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 130.48 94.71 0.7 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.08 131.74 24.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.427 2.084 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m 61.03 97.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 54.1 p -123.24 32.03 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.568 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -122.91 -67.61 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -108.65 -34.08 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.09 -158.53 49.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 p -96.0 147.72 23.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.7 p -147.58 -51.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.9 178.54 23.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -146.98 146.28 30.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 61.36 113.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.92 -175.61 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.0 m -122.86 37.52 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 p -79.49 154.78 28.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.43 -52.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 60.61 -177.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -94.17 168.52 10.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.78 -177.4 5.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -127.83 -58.31 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.85 -59.67 4.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.614 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.08 178.61 40.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.09 162.18 18.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.74 122.11 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -102.11 149.42 24.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 142.33 50.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.54 105.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -88.45 138.3 31.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.484 HD12 HD22 ' A' ' 34' ' ' LEU . 90.2 mt -131.89 129.9 40.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.7 t -102.41 109.02 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.687 HD22 ' CB ' ' A' ' 32' ' ' ARG . 71.4 mt -87.42 172.49 9.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 39.02 2.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.506 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 59.52 24.47 13.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 111.064 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.12 36.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.432 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.687 ' CB ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -118.79 -178.39 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.352 . . . . 0.0 110.899 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -139.83 157.15 46.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 96' ' ' LEU . 71.1 mt -82.09 -35.79 28.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.94 49.73 45.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -118.09 124.38 47.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.7 m -81.95 92.12 6.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.6 pt -92.71 152.01 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -141.24 141.56 33.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.44 147.43 22.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.68 -168.66 38.26 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.43 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -66.03 -39.32 90.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -63.34 -38.66 92.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -93.94 4.2 54.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.59 43.82 94.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.604 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.3 tp -145.77 157.32 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.37 -178.27 24.09 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.543 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.536 HG22 HD12 ' A' ' 70' ' ' ILE . 29.1 mm -97.36 118.73 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.432 ' CD1' ' HG2' ' A' ' 69' ' ' GLN . 70.2 m-85 -125.88 -175.02 3.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.585 HD12 ' HB2' ' A' ' 68' ' ' ASP . 28.5 mt -135.08 140.09 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.7 p -144.5 29.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.04 151.3 10.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.593 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.52 121.06 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.02 110.16 2.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.71 99.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.433 2.089 . . . . 0.0 112.286 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.69 30.23 4.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.531 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.7 p -100.81 178.16 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.17 -31.83 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 64' ' ' LEU . . . -75.66 -42.36 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.193 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -66.66 -35.47 80.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.19 -30.29 71.84 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.563 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.4 t -67.64 -57.59 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.96 49.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' CD1' ' HB1' ' A' ' 59' ' ' ALA . 7.9 mt -105.0 170.3 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.967 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 178.47 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.96 144.39 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.31 -23.13 32.67 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.543 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.585 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -57.58 156.46 8.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.986 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.74 ' HB2' HG21 ' A' ' 103' ' ' VAL . 20.1 tm0? -122.07 116.44 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.536 HD12 HG22 ' A' ' 48' ' ' ILE . 36.1 mt -73.44 120.91 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.082 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.6 mt -89.46 -65.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 pm0 -140.26 153.99 46.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.98 125.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.57 30.7 19.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.59 27.98 56.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.84 128.82 50.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.3 m -67.64 110.31 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.5 m-85 -95.43 67.7 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 mt -120.42 -42.03 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.43 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 57.5 t30 -115.93 37.82 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.539 HD11 ' HG2' ' A' ' 85' ' ' GLU . 2.3 tt -96.54 143.17 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.053 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.59 159.37 18.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.7 t60 -65.56 -45.58 82.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.23 -38.89 78.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.539 ' HG2' HD11 ' A' ' 81' ' ' ILE . 11.0 tt0 -60.21 -38.26 82.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.68 81.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.062 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.489 HG13 ' NZ ' ' A' ' 91' ' ' LYS . 21.4 t -77.91 -42.35 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -69.05 -44.22 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 27.7 tp -65.0 -37.77 88.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.532 ' O ' HD11 ' A' ' 96' ' ' LEU . 52.7 mt -73.91 -33.64 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.489 ' NZ ' HG13 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -108.37 67.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -160.78 -46.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -84.87 -175.24 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.29 -74.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -70.91 108.83 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.636 HD13 HD11 ' A' ' 34' ' ' LEU . 93.2 mt -115.32 107.65 15.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.9 83.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.86 140.77 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -120.61 96.26 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.87 171.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -137.43 167.83 20.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -65.72 94.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.74 HG21 ' HB2' ' A' ' 69' ' ' GLN . 26.6 t -118.69 -39.97 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -97.68 -14.87 39.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.792 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -55.87 107.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.369 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 107' ' ' PRO . 0.7 OUTLIER -164.65 130.09 2.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.786 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.426 ' O ' HD23 ' A' ' 106' ' ' LEU . 64.8 Cg_endo -73.76 -169.1 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.454 2.103 . . . . 0.0 112.313 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -133.36 174.95 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.6 171.23 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -114.05 91.46 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.3 t -138.33 157.68 45.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.98 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.05 146.36 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.24 -47.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -101.39 60.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.6 t -88.22 -30.6 19.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -59.4 112.67 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -164.38 -44.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.41 93.11 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.1 88.68 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.3 p -67.71 -61.1 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.9 t -105.38 147.45 28.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 p -151.81 107.74 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.2 -75.09 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.05 -10.34 28.1 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.584 2.19 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.9 t -56.96 -31.49 65.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -91.88 -57.66 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.527 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -141.75 116.61 9.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -89.15 111.97 22.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.496 HG13 ' OG ' ' A' ' 62' ' ' SER . 21.5 t -100.61 98.54 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -93.14 121.77 34.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' ' 62' ' ' SER . 21.7 mt -124.17 144.14 50.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.75 116.87 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.817 0.342 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.96 HD11 HD13 ' A' ' 96' ' ' LEU . 4.8 mt -91.05 -32.65 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.19 32.45 76.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.749 HD11 ' HB1' ' A' ' 59' ' ' ALA . 86.7 mt -108.55 125.88 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 m -84.46 85.09 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.7 pt -76.51 153.42 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 168.46 18.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.48 ' CA ' HD23 ' A' ' 46' ' ' LEU . . . 81.27 164.97 33.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.86 172.82 41.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.414 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.36 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.056 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.28 -36.29 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -95.85 -31.1 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.45 28.24 7.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.48 HD23 ' CA ' ' A' ' 40' ' ' GLY . 43.4 tp -120.01 152.23 37.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.19 -176.12 8.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -102.96 96.31 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 6.3 m-85 -107.17 -176.93 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 68' ' ' ASP . 2.0 mp -128.95 134.57 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 p -140.56 35.42 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -175.77 135.25 2.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.1 t -135.51 125.16 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.76 141.84 87.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.94 81.88 2.1 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.554 2.17 . . . . 0.0 112.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.45 40.73 0.92 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.534 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -102.39 179.72 4.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.32 -29.83 57.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.749 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -75.94 -32.25 59.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.5 -45.55 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.15 -43.93 98.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.547 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.612 ' HB2' HD21 ' A' ' 26' ' ' LEU . 10.1 t -60.17 -40.42 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.12 41.02 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -105.52 132.74 51.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.93 177.34 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 52' ' ' GLY . 29.2 m -68.4 153.98 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.55 -28.29 13.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.562 ' O ' HD12 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -61.09 149.05 38.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.939 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.3 tm0? -115.19 111.41 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.775 ' HA ' HG12 ' A' ' 100' ' ' VAL . 38.2 mt -73.41 113.79 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.97 -62.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.64 158.25 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG12 HD22 ' A' ' 74' ' ' ASN . 21.5 t -141.06 130.32 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.43 HD22 HG12 ' A' ' 73' ' ' VAL . 5.1 m-80 60.78 30.79 19.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.41 28.34 66.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 131.61 53.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.7 m -63.6 113.5 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.464 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 2.5 m-85 -98.72 30.49 3.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -92.41 -31.57 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -126.06 37.35 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.98 137.8 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.58 161.18 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.75 ' O ' HG23 ' A' ' 87' ' ' VAL . 62.6 t60 -69.78 -51.97 29.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -65.91 -31.8 72.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.68 -34.28 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.16 63.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 83' ' ' HIS . 29.2 t -79.7 -30.98 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -87.31 -41.33 13.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.464 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 51.7 tp -59.76 -31.05 69.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.572 ' O ' HD11 ' A' ' 96' ' ' LEU . 16.9 mt -76.25 -34.8 59.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -98.31 36.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 t -133.28 -47.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 t -75.43 146.98 40.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.37 -62.81 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.3 100.84 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.96 HD13 HD11 ' A' ' 34' ' ' LEU . 57.9 mt -94.46 109.07 20.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.17 74.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.455 HD11 HD22 ' A' ' 90' ' ' LEU . 1.9 mp -70.19 115.29 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.4 m -102.94 89.41 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.775 HG12 ' HA ' ' A' ' 70' ' ' ILE . 26.8 m -102.63 164.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -113.37 157.27 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.825 0.345 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -103.35 114.52 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.58 140.15 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.93 84.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -70.17 110.53 5.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.658 HD21 ' HB2' ' A' ' 62' ' ' SER . 52.9 mt -118.15 126.79 52.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.6 t -104.29 90.88 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.929 HD11 HD11 ' A' ' 96' ' ' LEU . 72.2 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.648 ' CD1' HD22 ' A' ' 90' ' ' LEU . 14.1 mt -92.29 -47.78 7.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.19 30.65 12.04 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.559 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 52' ' ' GLY . 39.4 mt -110.0 145.35 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 m -105.28 78.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 pt -72.05 166.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.46 163.52 36.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.64 170.74 46.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.48 168.17 34.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.406 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.65 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.92 -61.87 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -62.09 -29.09 70.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.68 27.46 7.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.407 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.429 HD11 ' HE2' ' A' ' 49' ' ' TYR . 53.6 tp -130.37 147.86 52.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.49 -148.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.411 HD11 HG23 ' A' ' 81' ' ' ILE . 27.6 mm -125.12 123.95 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.429 ' HE2' HD11 ' A' ' 46' ' ' LEU . 92.5 m-85 -129.21 -177.43 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG21 HD22 ' A' ' 36' ' ' LEU . 32.1 mt -132.21 141.1 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.7 p -153.7 40.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.638 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -169.12 143.18 7.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.444 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.47 118.44 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 0.0 111.02 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.25 143.98 83.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.42 102.87 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.561 2.174 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.63 34.61 7.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.6 p -96.58 168.74 10.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -68.19 -31.62 71.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.9 -35.5 67.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -72.59 -31.1 64.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.89 -43.9 90.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.571 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.658 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -60.24 -49.18 78.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.25 44.23 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.528 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.0 148.87 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.815 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.84 173.73 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -86.97 133.13 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.82 -19.66 23.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.42 149.53 13.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 110.996 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -107.92 110.64 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.415 ' HA ' HG12 ' A' ' 100' ' ' VAL . 27.5 mt -73.78 112.62 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.69 -61.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -143.54 160.8 39.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.64 126.81 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 60.41 35.88 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.99 28.17 67.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.436 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -132.67 130.7 40.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.27 137.64 58.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.6 m-85 -120.58 31.27 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.34 -57.47 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -98.24 35.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 48' ' ' ILE . 3.6 tt -92.76 137.9 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.7 164.33 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.408 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.4 t60 -73.49 -31.55 63.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.13 -39.62 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -62.23 -34.52 76.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -65.55 -31.13 72.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 83' ' ' HIS . 21.5 t -82.7 -51.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -60.48 -34.38 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.634 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 17.1 tp -78.48 -31.18 47.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.648 HD22 ' CD1' ' A' ' 34' ' ' LEU . 20.7 mt -82.5 -33.07 28.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.08 75.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -176.91 -43.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.523 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -81.75 154.45 25.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -76.7 -61.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -90.43 123.29 34.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.929 HD11 HD11 ' A' ' 28' ' ' LEU . 8.7 mt -122.57 103.79 8.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.0 mt -99.59 89.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.56 158.07 24.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.1 m -130.21 85.11 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 70' ' ' ILE . 15.9 m -100.1 148.71 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.05 175.28 5.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.904 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -89.99 147.27 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -128.92 122.77 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.438 HG11 ' HG ' ' A' ' 64' ' ' LEU . 21.5 t -119.57 90.75 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -81.64 128.05 33.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 62' ' ' SER . 50.4 mt -137.9 128.52 26.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 t -105.42 124.89 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.663 HD11 HD11 ' A' ' 96' ' ' LEU . 60.9 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.798 0.333 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 96' ' ' LEU . 14.0 mt -65.59 -48.81 71.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.54 35.38 8.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.628 HD11 HD13 ' A' ' 64' ' ' LEU . 91.2 mt -111.95 130.15 55.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -91.84 84.71 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 pt -70.09 169.77 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HG3' HG21 ' A' ' 51' ' ' THR . 0.0 OUTLIER -140.84 176.92 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.46 -174.76 7.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.04 179.85 38.53 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.59 76.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -47.13 70.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -71.01 -30.09 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.59 33.12 7.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.434 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.5 tp -135.7 155.28 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.42 -166.08 1.07 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.6 mm -117.18 89.15 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -90.16 -174.99 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 37.4 mt -131.99 114.9 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.414 HG21 ' HG3' ' A' ' 39' ' ' ARG . 4.2 t -132.57 47.78 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.37 134.45 3.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.41 96.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.82 148.21 92.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 122.12 8.38 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.497 2.132 . . . . 0.0 112.287 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.87 34.18 43.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.0 p -95.53 161.73 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.56 -31.86 71.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.45 75.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -69.46 -31.49 69.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.51 -37.06 53.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.517 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.12 -68.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.25 44.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.628 HD13 HD11 ' A' ' 36' ' ' LEU . 53.5 mt -109.46 101.45 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -97.17 -172.66 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.6 m -84.63 147.1 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.24 -29.08 12.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.59 119.41 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -89.31 113.75 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' ' 100' ' ' VAL . 40.2 mt -73.33 113.8 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt -83.77 -40.21 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pm0 -161.08 159.09 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.431 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.5 t -146.32 128.15 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 60.37 30.92 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.3 27.69 57.22 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.599 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -129.06 136.6 50.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -67.17 117.61 9.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.6 m-85 -103.72 30.09 5.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.2 mt -102.37 -31.04 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -122.81 33.68 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.5 tt -97.76 154.03 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.66 155.66 40.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.556 ' O ' HG23 ' A' ' 87' ' ' VAL . 2.8 t60 -63.45 -55.32 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.71 -41.15 97.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.92 -33.12 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.89 -33.86 62.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 83' ' ' HIS . 20.0 t -79.92 -29.52 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -31.7 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.7 tp -76.83 -34.48 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 34' ' ' LEU . 17.5 mt -77.07 -31.21 55.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -103.22 42.83 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.0 t -141.63 -50.63 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 t -76.57 140.46 41.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -66.89 -54.35 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.422 ' CD2' HD11 ' A' ' 97' ' ' ILE . 0.8 OUTLIER -83.44 135.41 34.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.663 HD11 HD11 ' A' ' 28' ' ' LEU . 18.4 mt -137.37 122.28 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.559 HD12 ' N ' ' A' ' 97' ' ' ILE . 3.5 mp -129.92 82.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.515 HD23 HD13 ' A' ' 70' ' ' ILE . 5.3 mp -75.48 151.96 37.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.1 m -127.12 88.05 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' ' 70' ' ' ILE . 28.9 m -100.33 158.91 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 162.75 14.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.773 0.32 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -126.8 162.46 25.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.53 135.11 42.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.565 HG13 ' OG ' ' A' ' 62' ' ' SER . 21.4 t -123.2 90.51 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -76.64 119.21 20.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 34' ' ' LEU . 72.8 mt -123.0 137.05 55.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.23 108.96 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 96' ' ' LEU . 3.3 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.519 ' CD2' HD12 ' A' ' 26' ' ' LEU . 8.7 mt -79.52 -35.96 39.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.88 40.79 93.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.526 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' HB1' ' A' ' 59' ' ' ALA . 19.7 mt -116.36 137.12 52.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 m -94.74 85.92 4.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.8 pt -72.06 151.76 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -133.62 156.19 48.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.8 150.85 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -159.12 171.54 35.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -60.91 -30.22 70.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 111.071 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -73.07 -30.7 63.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -95.26 18.84 11.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.259 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.06 26.07 18.88 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.781 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 tp -130.1 138.93 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.26 -176.04 2.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 70' ' ' ILE . 30.3 mm -98.41 115.25 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -119.34 -175.71 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.2 mt -127.09 143.23 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.453 ' HA ' HG12 ' A' ' 66' ' ' VAL . 4.7 t -157.18 42.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -173.62 139.84 5.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.514 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.31 109.75 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 111.085 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.98 145.44 53.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.72 136.08 22.7 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.516 2.144 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.6 31.08 51.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.7 p -107.33 150.48 26.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.735 0.303 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -32.04 72.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' A' ' 64' ' ' LEU . . . -72.47 -31.19 65.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.19 -31.17 65.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.4 -33.42 64.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.565 ' OG ' HG13 ' A' ' 24' ' ' VAL . 1.4 t -71.32 -38.48 71.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.71 39.83 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.627 HD13 ' HB1' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -88.84 120.29 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.83 178.81 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.574 HG12 ' N ' ' A' ' 52' ' ' GLY . 15.6 m -84.74 149.63 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.95 -26.35 23.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.91 151.91 20.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -118.61 116.97 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.53 HD12 HG22 ' A' ' 48' ' ' ILE . 32.6 mt -72.99 134.09 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.7 mt -104.01 -49.23 3.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -156.68 152.92 27.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.4 t -139.9 128.02 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 60.47 31.23 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.78 27.9 59.98 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.51 134.93 54.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.84 109.98 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.45 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.6 m-85 -101.47 30.24 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.11 -31.66 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.429 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 9.1 p-10 -137.29 74.49 1.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.488 HD11 ' HG2' ' A' ' 85' ' ' GLU . 5.7 tt -127.16 150.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.7 mt -60.48 156.87 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.732 ' O ' HG23 ' A' ' 87' ' ' VAL . 85.6 t60 -66.49 -31.31 71.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -83.93 -42.47 16.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.488 ' HG2' HD11 ' A' ' 81' ' ' ILE . 16.5 tt0 -60.25 -36.88 78.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.04 84.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 83' ' ' HIS . 27.8 t -70.76 -53.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.94 -45.19 93.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.45 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 40.3 tp -64.68 -31.37 72.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.89 -35.34 57.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -107.7 58.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.1 t -148.68 -50.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -76.32 150.04 36.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -73.25 -45.43 55.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.0 112.77 24.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.582 ' CD1' HD11 ' A' ' 28' ' ' LEU . 16.0 mt -115.57 117.58 30.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mt -119.49 80.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.615 ' HA ' HG22 ' A' ' 73' ' ' VAL . 4.1 mp -68.95 141.14 55.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -114.68 92.71 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.24 143.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -100.01 164.73 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -128.33 110.65 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HG3' HG23 ' A' ' 99' ' ' THR . 3.2 mttt -95.74 140.86 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.472 HG11 ' HB3' ' A' ' 62' ' ' SER . 21.4 t -135.12 103.01 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -74.19 148.67 41.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.688 HD21 ' OG ' ' A' ' 62' ' ' SER . 59.9 mt -150.67 140.2 21.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.22 107.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.858 HD11 HD11 ' A' ' 96' ' ' LEU . 78.7 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.64 ' CD1' HD22 ' A' ' 90' ' ' LEU . 24.7 mt -87.91 -46.13 9.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.64 44.9 7.58 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD21 ' HB1' ' A' ' 59' ' ' ALA . 17.3 mt -119.87 133.46 55.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 m -93.18 72.44 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 87' ' ' VAL . 2.1 pt -70.09 150.35 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.79 145.9 36.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.518 ' HA3' HD23 ' A' ' 46' ' ' LEU . . . 88.01 155.55 29.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.38 -161.65 31.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 80' ' ' ASN . . . -62.74 -29.7 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 -49.1 74.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -96.75 18.16 15.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.04 26.08 18.81 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.762 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.518 HD23 ' HA3' ' A' ' 40' ' ' GLY . 8.7 tp -118.92 151.2 38.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.326 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.29 178.42 8.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.453 HD11 HG23 ' A' ' 81' ' ' ILE . 23.9 mm -95.47 94.73 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -99.61 -177.34 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.77 HD12 ' HB2' ' A' ' 68' ' ' ASP . 40.9 mt -129.8 156.08 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.444 ' N ' HG22 ' A' ' 50' ' ' ILE . 3.9 t -166.7 42.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.722 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 176.47 140.98 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.608 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.7 133.75 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -96.65 140.45 22.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.66 117.49 4.78 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.49 2.127 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.74 -24.76 18.78 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.695 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.2 p -57.72 171.75 0.44 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.809 0.338 . . . . 0.0 110.982 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.57 -38.6 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.682 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -66.28 -39.78 89.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -41.65 97.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.55 -37.52 78.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.688 ' OG ' HD21 ' A' ' 26' ' ' LEU . 1.2 m -61.44 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.2 45.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.4 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.6 126.5 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -116.09 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.722 HG12 ' N ' ' A' ' 52' ' ' GLY . 16.7 m -78.97 136.48 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.39 -24.73 25.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.578 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.77 ' HB2' HD12 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -58.06 144.47 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.97 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -108.62 130.16 55.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.3 mt -89.96 126.49 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.67 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -135.44 165.1 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.416 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.3 t -151.18 122.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.585 HD21 HD23 ' A' ' 96' ' ' LEU . 39.9 m-80 60.15 31.15 20.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.99 28.21 50.72 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -129.17 130.78 46.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.66 118.01 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 4.2 m-85 -99.64 41.05 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.9 mt -93.57 -31.06 14.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 50.0 t30 -132.73 39.92 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.453 HG23 HD11 ' A' ' 48' ' ' ILE . 3.0 tt -94.1 146.63 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.84 161.86 6.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.441 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.8 t60 -77.68 -35.19 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -80.12 -31.53 39.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -74.31 -34.61 63.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.541 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -64.02 -30.87 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.483 HG13 ' HE2' ' A' ' 91' ' ' LYS . 21.5 t -85.4 -51.2 13.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -59.85 -41.85 92.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.86 -34.33 73.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.64 HD22 ' CD1' ' A' ' 34' ' ' LEU . 15.2 mt -77.51 -31.65 53.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.483 ' HE2' HG13 ' A' ' 87' ' ' VAL . 0.3 OUTLIER -110.38 75.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -177.12 -45.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.9 t -72.65 178.26 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -74.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -72.96 130.82 41.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.858 HD11 HD11 ' A' ' 28' ' ' LEU . 77.1 mt -133.58 116.3 15.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mt -122.5 93.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.16 145.66 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.449 HG23 ' HG3' ' A' ' 23' ' ' LYS . 1.8 m -120.74 82.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.5 m -90.17 163.56 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.15 172.89 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -117.75 138.66 51.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -108.69 129.18 55.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 96.76 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -80.85 128.76 34.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 62' ' ' SER . 74.7 mt -124.62 128.68 49.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.18 108.7 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 m . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.806 HD11 HD13 ' A' ' 96' ' ' LEU . 33.1 mt -100.4 -53.24 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.09 28.32 23.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.561 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD11 HD13 ' A' ' 64' ' ' LEU . 44.2 mt -105.05 140.94 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 51' ' ' THR . 18.5 m -104.59 80.36 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 pt -71.78 156.76 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -135.51 155.94 49.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.07 154.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.57 -113.2 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.22 -41.88 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.33 -46.65 89.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -78.11 -31.35 49.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.28 28.51 14.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.3 tp -120.93 148.18 44.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.42 164.21 20.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.437 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.682 HD11 HG23 ' A' ' 81' ' ' ILE . 24.7 mm -82.09 92.25 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 111.129 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.435 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 83.4 m-85 -101.67 178.07 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.667 HD12 ' HB2' ' A' ' 68' ' ' ASP . 31.2 mt -123.67 148.89 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.031 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.682 ' HA ' HG12 ' A' ' 66' ' ' VAL . 10.0 t -159.11 37.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.3 133.72 2.94 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 65' ' ' LYS . 21.6 t -137.85 97.73 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.072 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.04 110.27 2.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.36 118.47 5.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.462 2.108 . . . . 0.0 112.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.56 30.86 14.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.8 p -108.78 179.33 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -43.21 63.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.34 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.972 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HG3' HG12 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -65.68 -37.45 86.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.945 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.39 -28.01 71.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.583 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.438 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -69.64 -67.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.972 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.52 46.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.435 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.627 HD13 HD11 ' A' ' 36' ' ' LEU . 25.2 mt -112.62 109.24 18.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HA ' HG21 ' A' ' 53' ' ' VAL . 1.2 mptt -112.72 175.56 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 51' ' ' THR . 17.0 m -67.74 138.32 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.41 -25.38 19.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.667 ' HB2' HD12 ' A' ' 50' ' ' ILE . 5.9 m-20 -57.92 144.26 39.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.435 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -111.02 108.43 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.627 HD12 HG22 ' A' ' 48' ' ' ILE . 36.9 mt -73.31 114.56 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.5 mt -85.39 -46.94 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 pm0 -159.45 154.8 25.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.484 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.6 t -139.35 135.26 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 60.82 29.76 19.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.81 36.79 83.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.77 138.79 45.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -62.81 125.12 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -110.07 29.94 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -87.57 -56.88 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -98.46 32.24 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.682 HG23 HD11 ' A' ' 48' ' ' ILE . 1.1 tp -89.64 136.65 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.2 165.46 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.0 OUTLIER -73.14 -49.88 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -63.8 -31.37 72.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -74.86 -31.14 61.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.06 -34.23 66.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 83' ' ' HIS . 24.2 t -79.41 -31.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -31.52 27.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -77.6 -34.77 53.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.435 HD21 HG21 ' A' ' 73' ' ' VAL . 61.7 mt -78.34 -31.97 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -104.24 59.68 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.1 t -154.32 -61.01 0.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -67.28 155.34 39.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -32.01 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -104.29 99.91 9.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.806 HD13 HD11 ' A' ' 34' ' ' LEU . 21.9 mt -108.43 109.88 21.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.7 mt -107.68 72.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.037 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.484 ' HA ' HG22 ' A' ' 73' ' ' VAL . 2.8 mp -60.39 147.17 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.9 m -123.51 87.1 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.1 m -104.39 157.37 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -106.06 156.54 18.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 p30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.961 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.834 0.349 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -97.32 122.88 40.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 136.72 44.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -128.1 89.32 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 p-10 -79.1 99.95 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.1 mt -108.71 127.63 54.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.92 126.59 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.2 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.733 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.619 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.3 mt -61.89 -36.08 80.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.14 53.19 7.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -133.33 158.47 42.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.1 m -114.26 89.26 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 pt -70.01 166.59 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -138.06 177.64 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.35 -161.63 25.7 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.76 -173.07 27.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.71 -35.25 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.073 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.22 -31.7 70.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -99.98 -31.17 11.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.76 32.44 6.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.6 tp -125.04 155.47 39.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.33 177.72 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.614 HG22 HD12 ' A' ' 70' ' ' ILE . 26.8 mm -104.74 92.41 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -96.39 -178.56 4.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.5 mt -127.07 126.36 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.559 ' HA ' HG12 ' A' ' 66' ' ' VAL . 30.6 p -138.83 39.86 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.403 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -160.82 135.8 4.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.19 115.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -91.61 139.07 24.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.68 116.39 4.45 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.531 2.154 . . . . 0.0 112.317 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.92 33.38 5.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.584 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 p -115.85 169.16 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.71 -37.04 83.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.42 69.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.94 -31.47 71.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.83 -29.51 34.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -68.96 -49.79 54.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.63 44.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mt -105.81 125.06 50.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.52 173.61 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 51' ' ' THR . 11.9 m -78.2 137.87 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.01 -28.3 8.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.419 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.31 151.82 35.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -113.19 118.94 36.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.614 HD12 HG22 ' A' ' 48' ' ' ILE . 39.4 mt -73.54 113.06 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.6 mt -78.95 -56.29 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -154.05 162.06 41.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.5 t -137.17 122.2 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.17 33.63 21.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.42 27.65 61.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.404 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.14 124.39 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.83 119.62 11.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.758 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.2 m-85 -98.6 33.69 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.3 mt -82.82 -54.05 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -104.43 43.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.543 HD13 ' CE2' ' A' ' 78' ' ' PHE . 16.1 tt -97.31 146.75 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.08 149.26 41.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.728 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.2 t60 -60.26 -45.93 91.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.06 -38.77 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -63.51 -43.43 97.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.35 80.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 83' ' ' HIS . 28.2 t -67.45 -45.32 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -68.9 -47.62 65.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.758 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 48.0 tp -59.81 -31.56 69.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.619 HD22 ' CD1' ' A' ' 34' ' ' LEU . 20.3 mt -85.42 -30.67 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.26 69.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -177.0 -44.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.52 165.79 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -83.05 -75.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.62 128.59 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.557 HD13 HD11 ' A' ' 34' ' ' LEU . 91.6 mt -130.84 102.57 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.5 mt -100.89 85.46 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.27 146.41 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.0 m -122.65 85.5 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.26 143.1 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.19 159.96 14.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -113.58 142.2 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HD3' HG21 ' A' ' 97' ' ' ILE . 1.1 ttmp? -115.36 139.84 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.64 108.6 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -87.31 122.66 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.7 mt -120.34 106.8 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.46 116.59 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.472 HD11 HD12 ' A' ' 96' ' ' LEU . 31.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 96' ' ' LEU . 2.9 mt -112.97 -50.74 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.828 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.44 49.61 2.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.443 HD21 ' HB1' ' A' ' 59' ' ' ALA . 1.8 mt -134.23 131.81 38.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -96.42 89.0 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -72.19 168.46 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -141.12 169.2 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.41 166.03 4.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.535 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.53 -168.19 38.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.69 -36.6 57.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.89 -51.95 67.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -76.27 -29.63 57.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.89 29.58 9.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.2 tp -122.32 159.1 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.476 ' O ' HD13 ' A' ' 48' ' ' ILE . . . -66.04 -149.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.689 HG22 HD12 ' A' ' 70' ' ' ILE . 25.3 mm -129.99 92.93 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.745 0.307 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 69' ' ' GLN . 97.2 m-85 -91.19 -176.81 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 68' ' ' ASP . 32.0 mt -132.35 119.4 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -133.4 46.57 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.71 143.17 7.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.596 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.454 HG12 ' OE1' ' A' ' 60' ' ' GLU . 21.8 t -152.41 121.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.57 145.68 75.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.25 110.03 2.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.519 2.146 . . . . 0.0 112.371 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.52 34.92 34.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.3 p -94.12 173.92 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.18 -38.11 89.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -74.51 -31.58 62.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' OE1' HG12 ' A' ' 53' ' ' VAL . 2.9 tp10 -69.16 -33.21 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.81 -44.42 38.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t -60.62 -39.76 89.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.67 40.46 0.46 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.33 109.05 20.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -112.77 176.14 5.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.63 152.15 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.95 26.76 21.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.604 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.741 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -111.42 153.44 26.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.431 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 5.8 tm0? -120.43 111.78 18.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.689 HD12 HG22 ' A' ' 48' ' ' ILE . 14.6 mt -75.0 135.08 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -101.85 -51.24 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 pm0 -152.61 156.89 40.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -138.81 123.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 60.8 30.61 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.53 28.4 55.37 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.6 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -123.28 135.21 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.49 115.19 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -104.06 30.87 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 mt -92.18 -43.21 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -116.66 36.01 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 tt -91.86 148.98 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.67 151.74 37.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 87' ' ' VAL . 6.9 t60 -66.18 -41.12 90.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.27 -37.46 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.8 -37.32 87.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.37 -31.25 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.042 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 83' ' ' HIS . 30.5 t -83.46 -38.11 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -73.58 -40.67 63.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.3 tp -69.4 -38.15 77.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.8 mt -72.15 -32.7 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -106.83 71.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 t -176.01 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.92 158.23 28.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.34 -62.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.32 125.05 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.639 HD13 HD11 ' A' ' 34' ' ' LEU . 12.7 mt -133.04 112.14 11.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.48 HG21 ' HD3' ' A' ' 23' ' ' LYS . 15.0 mt -113.02 86.5 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 mp -80.3 134.72 36.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.2 m -111.89 91.29 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.657 HG12 ' HA ' ' A' ' 70' ' ' ILE . 23.5 m -101.23 169.33 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -118.91 157.4 27.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.821 0.343 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -103.9 133.77 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.94 150.87 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.96 97.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -75.67 112.45 12.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.3 mt -118.06 117.75 30.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.25 127.03 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.925 HD11 HD13 ' A' ' 96' ' ' LEU . 3.8 mt -96.36 -51.47 4.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.64 30.08 7.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.464 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD11 HD13 ' A' ' 64' ' ' LEU . 27.0 mt -104.15 124.37 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -93.98 78.42 4.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.425 HG21 HD12 ' A' ' 70' ' ' ILE . 4.7 pt -69.96 164.12 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -137.07 176.28 8.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.436 ' HA3' HD23 ' A' ' 46' ' ' LEU . . . 61.65 170.13 0.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.601 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.55 -168.56 38.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.41 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.28 -55.37 8.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 111.083 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.08 -37.96 81.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -71.38 -30.08 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.15 30.27 14.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.401 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.436 HD23 ' HA3' ' A' ' 40' ' ' GLY . 32.2 tp -138.82 151.68 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.817 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.57 -178.09 4.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.545 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -101.87 95.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -101.42 -175.01 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mt -127.2 144.02 38.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.5 t -159.02 47.63 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.602 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 175.54 138.67 2.87 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.568 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 60' ' ' GLU . 21.5 t -142.83 105.53 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.073 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.9 110.74 3.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.43 122.99 11.15 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.458 2.105 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.92 32.26 30.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.8 p -104.8 -174.99 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -78.1 -31.51 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 64' ' ' LEU . . . -76.62 -33.13 58.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' HB2' HG12 ' A' ' 53' ' ' VAL . 1.6 tt0 -75.71 -34.47 60.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.15 -28.41 73.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.55 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.87 -65.63 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.03 55.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.619 HD13 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -110.64 121.47 45.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.68 -178.52 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 52' ' ' GLY . 8.1 m -95.79 129.02 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.13 -27.64 5.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.41 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.57 158.63 9.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -116.16 121.11 41.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 38' ' ' ILE . 30.4 mt -76.79 103.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.647 HD11 ' HB3' ' A' ' 101' ' ' LYS . 12.9 mt -67.99 -52.96 29.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.15 159.53 34.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.19 131.56 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 60.27 31.12 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.28 28.22 72.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -117.62 140.12 50.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -66.57 128.88 37.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.778 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 4.5 m-85 -122.71 30.86 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.5 mt -93.2 -52.82 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -104.99 31.45 4.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 tt -90.18 148.51 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.61 150.06 47.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.78 ' O ' HG23 ' A' ' 87' ' ' VAL . 2.1 t60 -62.51 -41.59 98.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.42 -41.58 80.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -65.47 -33.3 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -70.75 -30.98 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 83' ' ' HIS . 26.7 t -77.66 -36.46 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -40.89 27.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.778 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 29.0 tp -60.13 -40.19 88.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 86' ' ' ALA . 10.3 mt -72.05 -31.39 66.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -108.59 77.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.5 t -176.81 -45.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.58 165.57 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.7 mmt-85 -90.33 -65.95 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -79.95 103.37 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.925 HD13 HD11 ' A' ' 34' ' ' LEU . 35.1 mt -107.76 106.38 16.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.2 86.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.17 147.04 36.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.1 m -125.62 88.13 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.53 148.73 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.647 ' HB3' HD11 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -102.76 168.23 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -129.06 121.09 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HD3' HG21 ' A' ' 97' ' ' ILE . 27.5 mttt -93.85 143.62 26.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.23 84.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -69.99 128.54 36.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.712 HD21 ' HB3' ' A' ' 62' ' ' SER . 76.8 mt -126.9 135.48 51.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.68 111.31 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.44 HD11 HD13 ' A' ' 96' ' ' LEU . 81.4 mt -82.38 -50.72 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.97 50.45 2.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.618 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.0 mt -131.67 130.53 42.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -90.32 84.07 6.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.6 pt -70.58 161.82 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -144.82 169.42 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.62 168.14 15.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.74 169.48 38.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.88 84.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.83 -39.31 93.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -90.54 10.31 25.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.333 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.09 45.02 83.52 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.667 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 tp -143.74 161.37 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.18 -158.6 9.52 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mm -118.75 88.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -85.56 -175.03 5.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.409 HD11 ' CG1' ' A' ' 70' ' ' ILE . 32.1 mt -144.05 104.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 t -119.23 46.74 1.82 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.13 140.83 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.94 108.62 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.9 135.69 96.18 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.66 94.4 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.456 2.104 . . . . 0.0 112.382 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.12 48.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.65 -174.38 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.16 -34.37 61.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -71.21 -41.52 70.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.96 -31.42 72.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -83.43 -34.44 19.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.574 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.712 ' HB3' HD21 ' A' ' 26' ' ' LEU . 78.8 p -61.61 -70.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.08 43.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.578 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -106.17 150.26 26.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.806 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 -177.97 5.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.1 m -87.4 136.62 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.73 23.72 20.05 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.74 152.26 19.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.759 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -114.35 102.47 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.409 ' CG1' HD11 ' A' ' 50' ' ' ILE . 35.6 mt -65.95 131.28 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -96.1 -64.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.48 160.13 42.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 98' ' ' LEU . 20.0 t -142.94 124.29 11.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 60.9 30.8 19.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.42 29.56 57.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.14 140.15 53.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.5 t -70.74 117.71 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.743 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 4.0 m-85 -107.27 35.19 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.6 mt -108.94 -44.95 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -110.63 36.34 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.1 tt -103.72 153.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.53 149.57 38.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -65.84 -45.77 80.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.61 -35.33 80.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -65.47 -40.14 92.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.41 69.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.29 -42.88 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -50.73 53.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.743 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 33.5 tp -60.15 -31.36 70.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.1 mt -81.0 -32.16 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.11 70.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 t -171.51 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m -80.59 176.75 9.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -96.0 -64.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.51 131.88 34.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 34' ' ' LEU . 27.6 mt -135.91 118.94 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.416 HG21 ' HD3' ' A' ' 23' ' ' LYS . 3.8 mt -112.49 80.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.489 ' HA ' HG22 ' A' ' 73' ' ' VAL . 5.7 mp -76.23 130.76 38.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -109.25 99.56 8.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.6 m -108.33 139.95 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -98.78 166.44 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -115.23 123.32 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG2' HG22 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -106.95 120.3 41.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.58 112.11 38.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -93.93 134.75 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD21 ' OG ' ' A' ' 62' ' ' SER . 18.1 mt -135.58 135.4 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.492 HG22 ' CE1' ' A' ' 95' ' ' HIS . 21.5 t -108.69 96.37 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 96' ' ' LEU . 23.4 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.817 0.342 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.562 HD11 HD13 ' A' ' 96' ' ' LEU . 2.5 mt -62.36 -31.76 72.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.8 35.46 92.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.717 HD11 HD22 ' A' ' 64' ' ' LEU . 17.3 mt -104.15 155.65 18.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 m -113.58 77.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.0 pt -74.38 166.14 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -143.62 177.07 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.41 164.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -169.13 -174.6 37.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.628 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -71.15 -22.01 62.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 111.37 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.95 27.92 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.133 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -147.34 20.26 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.234 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.9 26.81 8.84 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.778 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.0 tp -135.28 160.69 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.25 -163.04 37.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -105.72 116.76 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.365 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -116.58 -177.33 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 mt -132.78 146.64 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -161.67 39.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.56 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 179.6 135.94 2.56 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.454 HG22 ' CD2' ' A' ' 36' ' ' LEU . 21.6 t -137.74 127.51 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 111.02 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 149.35 75.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.59 92.93 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.574 2.183 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.81 38.98 12.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 p -89.94 177.98 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.813 0.339 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.03 -34.19 74.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.99 60.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.62 -31.91 72.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.8 -43.06 60.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.538 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.502 ' OG ' HD21 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.86 -57.06 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.334 . . . . 0.0 110.875 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.87 49.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.433 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.717 HD22 HD11 ' A' ' 36' ' ' LEU . 1.2 mp -104.79 147.44 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.01 -175.16 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 52' ' ' GLY . 15.5 m -91.36 137.95 20.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.71 -28.63 9.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 143.52 47.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.27 111.31 23.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.411 ' HA ' HG12 ' A' ' 100' ' ' VAL . 4.4 mt -69.71 112.92 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.8 mt -73.53 -65.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.52 161.0 38.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.414 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.3 t -142.56 128.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 60.56 35.76 20.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.3 27.99 72.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.57 126.91 44.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 110.81 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.24 116.93 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.414 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.8 m-85 -98.7 30.28 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -93.0 -31.08 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.628 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 7.3 t-20 -126.85 55.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.418 ' N ' ' HB2' ' A' ' 42' ' ' ALA . 1.1 tp -116.67 137.23 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.49 149.92 28.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.61 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.5 t60 -63.33 -38.87 92.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -72.74 -34.49 67.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.17 -38.44 60.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.48 93.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 83' ' ' HIS . 25.3 t -72.88 -49.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -46.57 89.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.74 -45.06 91.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.8 mt -59.98 -31.62 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -106.84 46.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.51 -59.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -65.8 166.04 11.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -91.25 -57.7 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.492 ' CE1' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -88.3 100.51 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 28' ' ' LEU . 12.3 mt -99.97 119.6 38.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.5 HG22 ' HG2' ' A' ' 23' ' ' LYS . 2.3 mt -115.96 82.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.77 143.25 46.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -122.73 80.03 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 70' ' ' ILE . 11.7 m -87.56 169.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 151.17 46.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.917 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.522 ' O ' HG23 ' A' ' 99' ' ' THR . 16.4 ttpt -90.65 158.77 16.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -135.33 144.46 46.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.18 90.91 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -79.03 132.87 36.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.5 mt -136.75 142.68 43.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.82 90.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.682 HD11 ' CD1' ' A' ' 96' ' ' LEU . 60.5 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.643 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -87.42 -47.62 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.98 33.28 5.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.392 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.771 HD11 HD13 ' A' ' 64' ' ' LEU . 55.2 mt -117.65 124.71 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.899 0.381 . . . . 0.0 110.822 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -87.01 96.88 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 pt -89.54 161.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -142.73 165.28 27.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.27 154.6 6.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.71 -177.63 47.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.63 -30.22 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.72 0.295 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -32.64 45.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -93.46 13.42 21.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.231 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.9 26.63 26.98 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.717 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.3 tp -136.31 153.17 51.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.53 -170.51 7.53 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.9 mm -101.11 106.63 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.707 0.289 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -110.71 -175.8 2.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mt -125.66 152.34 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 t -167.38 38.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.712 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -172.87 146.45 9.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.572 HG23 HG13 ' A' ' 66' ' ' VAL . 21.4 t -147.72 108.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.09 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.8 142.3 94.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.33 109.5 2.93 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.516 2.144 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.05 38.15 9.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.538 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -104.68 175.27 5.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.766 0.317 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -69.85 -31.56 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.09 -49.3 24.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.21 -37.27 79.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.46 72.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -69.18 -55.78 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.32 54.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.771 HD13 HD11 ' A' ' 36' ' ' LEU . 9.5 mt -117.91 125.74 51.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -98.47 -176.94 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.712 HG12 ' N ' ' A' ' 52' ' ' GLY . 4.4 m -99.55 120.97 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.05 -25.26 4.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.08 166.2 1.64 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -121.74 116.53 24.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.7 mt -76.15 109.29 9.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.45 -62.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.06 164.07 31.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.413 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.5 t -144.84 128.69 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 60.36 30.2 19.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.72 28.16 55.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -129.81 131.48 46.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.9 m -68.55 116.49 9.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.423 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.8 m-85 -97.62 39.12 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 mt -102.71 -31.3 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -121.86 36.56 4.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.8 tt -102.59 156.77 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mp -78.24 151.88 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.48 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.8 t60 -60.35 -47.4 86.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.68 -51.91 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -60.4 -31.64 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.419 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -65.81 -46.42 78.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 83' ' ' HIS . 21.5 t -72.2 -42.11 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -67.07 -48.32 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.423 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 33.8 tp -60.5 -37.77 82.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 86' ' ' ALA . 45.1 mt -71.95 -31.09 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.38 38.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -136.45 -63.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.92 141.89 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -60.79 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -80.38 100.07 8.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.682 ' CD1' HD11 ' A' ' 28' ' ' LEU . 80.1 mt -97.36 123.13 41.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.4 mt -125.73 75.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 73' ' ' VAL . 7.0 mp -69.62 143.49 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 22' ' ' LYS . 2.5 m -120.82 98.69 6.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.1 m -107.79 162.03 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -124.47 172.37 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG2' HD12 ' A' ' 71' ' ' LEU . 1.2 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.935 0.398 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -123.14 122.57 38.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 145.0 25.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.59 97.02 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -88.47 124.95 34.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.8 mt -129.41 130.53 46.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.03 116.3 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.868 0.366 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 90' ' ' LEU . 15.3 mt -84.04 -41.53 17.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.97 37.46 33.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.586 HD11 HD13 ' A' ' 64' ' ' LEU . 32.6 mt -120.4 128.75 53.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -93.35 82.62 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.8 pt -72.09 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.31 167.51 25.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.63 160.46 2.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.78 -173.91 46.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.38 -30.61 68.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.044 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.33 -27.52 61.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -103.81 11.68 35.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.389 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.73 33.57 42.48 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.719 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.0 tp -137.13 153.76 50.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.65 -159.23 0.25 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -117.78 108.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 58.9 m-85 -109.54 -175.31 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 68' ' ' ASP . 30.4 mt -127.47 141.15 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.561 ' HA ' HG12 ' A' ' 66' ' ' VAL . 7.2 t -152.04 43.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.577 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -175.11 154.08 17.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.597 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -151.37 127.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.93 111.18 48.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 91.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.47 2.113 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.64 42.28 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -122.42 172.43 8.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.57 -31.61 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.58 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.16 -31.34 64.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.93 -34.04 22.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -60.36 -60.89 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.57 54.33 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 36' ' ' LEU . 37.0 mt -124.11 139.61 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -132.31 -178.18 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.577 HG12 ' N ' ' A' ' 52' ' ' GLY . 12.2 m -78.98 117.16 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.35 -26.61 3.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.519 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -58.67 148.06 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.89 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.423 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.2 tm0? -116.35 117.19 29.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.06 123.9 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.537 HD12 ' HG2' ' A' ' 21' ' ' GLU . 44.6 mt -89.23 -42.99 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.78 154.67 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.694 HG22 ' HA ' ' A' ' 98' ' ' LEU . 19.9 t -138.44 129.53 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 60.76 30.92 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.33 28.45 67.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -120.77 138.29 54.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 129.5 40.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.64 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 4.1 m-85 -116.71 33.36 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -100.13 -36.31 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -114.67 31.29 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 tt -95.0 133.91 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.16 161.11 9.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.769 ' O ' HG23 ' A' ' 87' ' ' VAL . 86.5 t60 -72.37 -31.48 65.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.53 -44.88 33.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.6 -37.41 84.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.08 80.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 83' ' ' HIS . 30.7 t -65.95 -31.51 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -37.17 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.64 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 19.8 tp -65.65 -53.99 33.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 34' ' ' LEU . 78.2 mt -59.84 -34.2 72.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -101.85 57.38 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 t -152.36 -64.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t -61.84 149.71 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -31.38 53.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.515 ' O ' HD23 ' A' ' 96' ' ' LEU . 2.0 t-160 -109.75 125.22 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 95' ' ' HIS . 20.8 mt -128.75 124.2 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.06 72.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.694 ' HA ' HG22 ' A' ' 73' ' ' VAL . 4.7 mp -62.89 147.46 50.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -123.37 80.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.9 m -94.8 154.27 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -100.81 170.11 8.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -98.84 118.0 34.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -93.72 145.98 24.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.508 HG21 HD21 ' A' ' 64' ' ' LEU . 21.5 t -136.84 83.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -75.21 128.24 35.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 mt -131.27 141.54 50.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.92 113.62 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.952 HD21 HD12 ' A' ' 96' ' ' LEU . 55.8 mt -94.63 -44.91 7.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.74 41.38 6.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' HB1' ' A' ' 59' ' ' ALA . 77.8 mt -118.26 133.34 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -93.65 78.6 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.74 155.12 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.067 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.64 153.18 42.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.45 152.3 20.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.25 -168.81 41.48 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HB3' HD23 ' A' ' 82' ' ' LEU . . . -61.64 -30.61 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.081 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.01 -33.84 76.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -109.8 20.07 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.88 25.27 15.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.676 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 tp -121.29 161.44 21.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.95 -146.77 0.4 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.495 HG22 HD12 ' A' ' 70' ' ' ILE . 25.4 mm -127.15 107.59 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.894 0.378 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.443 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 65.7 m-85 -114.98 176.34 5.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 68' ' ' ASP . 31.6 mt -120.62 138.82 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.8 t -143.77 38.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.568 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 179.24 138.8 3.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.07 114.47 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.02 135.8 95.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.75 117.97 4.92 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.469 2.113 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.87 42.59 16.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 p -114.25 175.79 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -67.6 -39.41 84.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.601 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -74.05 -31.34 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -31.19 68.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.04 -39.08 92.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -41.56 99.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.1 36.76 0.85 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.601 HD12 ' HB1' ' A' ' 59' ' ' ALA . 92.7 mt -86.72 128.06 35.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -115.48 174.47 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 52' ' ' GLY . 27.4 m -78.13 135.86 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.099 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.6 -24.92 8.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.463 ' HB2' HD12 ' A' ' 50' ' ' ILE . 9.3 m-20 -57.22 152.36 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 111.074 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.443 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.1 tm0? -116.93 113.4 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.495 HD12 HG22 ' A' ' 48' ' ' ILE . 39.7 mt -73.06 103.22 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.3 mt -73.66 -40.75 63.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' OE2' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -164.62 163.35 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.57 HG22 ' HG ' ' A' ' 98' ' ' LEU . 21.5 t -145.36 124.09 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 60.35 31.14 20.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.81 32.53 49.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -126.47 132.18 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -67.64 117.74 9.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -102.59 43.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.53 -49.91 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.63 32.17 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.9 tt -87.96 153.01 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 42' ' ' ALA . 66.8 mt -75.12 149.77 38.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -62.94 -36.0 81.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -73.93 -35.16 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -68.94 -33.28 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.88 -45.86 84.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.9 t -71.84 -40.38 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -31.45 67.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.1 tp -80.77 -33.53 34.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.552 HD22 ' CD1' ' A' ' 34' ' ' LEU . 21.5 mt -75.92 -32.72 59.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -109.17 70.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.5 t -171.59 -51.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m -72.4 140.36 48.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -72.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -79.63 123.96 28.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.952 HD12 HD21 ' A' ' 34' ' ' LEU . 30.2 mt -123.13 126.7 47.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.83 96.73 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HG ' HG22 ' A' ' 73' ' ' VAL . 6.6 mp -85.71 164.24 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.486 HG21 ' OE2' ' A' ' 72' ' ' GLU . 37.5 m -138.47 82.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.56 163.45 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -116.95 154.92 30.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.885 0.374 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -145.57 110.54 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.404 ' NZ ' HG21 ' A' ' 97' ' ' ILE . 3.6 tttm -89.47 130.31 35.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.57 95.75 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -81.87 141.71 33.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.667 HD12 ' CD2' ' A' ' 34' ' ' LEU . 60.3 mt -130.18 119.46 22.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.655 HG22 ' CE1' ' A' ' 95' ' ' HIS . 27.8 t -91.54 100.03 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.647 HD11 HD11 ' A' ' 96' ' ' LEU . 73.1 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.667 ' CD2' HD12 ' A' ' 26' ' ' LEU . 15.7 mt -87.69 -33.14 18.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.83 32.53 82.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD22 HG21 ' A' ' 50' ' ' ILE . 15.4 mt -107.22 152.06 24.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 m -107.77 105.15 14.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.412 HD11 ' CG2' ' A' ' 87' ' ' VAL . 12.8 pt -88.32 173.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.13 172.61 13.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.642 ' CA ' HD23 ' A' ' 46' ' ' LEU . . . 58.99 166.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -164.98 -171.18 30.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.563 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.28 -50.14 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -57.48 -33.3 67.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -84.74 -25.68 28.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.18 27.47 25.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.323 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.642 HD23 ' CA ' ' A' ' 40' ' ' GLY . 32.0 tp -122.27 153.65 38.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.65 -166.31 4.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mm -115.38 81.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 69' ' ' GLN . 47.7 m-85 -84.43 -174.93 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.455 HG21 HD22 ' A' ' 36' ' ' LEU . 21.6 mt -138.59 128.33 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 t -137.19 31.69 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.472 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -165.79 141.52 7.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.634 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.47 116.71 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.06 145.61 84.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.17 1.53 9.09 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.644 2.229 . . . . 0.0 112.848 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.57 41.06 0.8 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 p -107.04 -178.01 3.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -83.58 -30.4 27.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.42 80.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -40.3 96.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.46 -28.43 59.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.573 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.13 -59.34 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.98 49.9 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mt -120.6 138.68 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 -177.63 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 52' ' ' GLY . 12.6 m -77.69 157.85 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.34 -28.26 13.86 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.542 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.19 141.53 58.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.3 tt0 -110.84 116.62 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.67 114.05 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.55 -44.15 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -160.69 158.69 29.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.567 HG12 ' ND2' ' A' ' 74' ' ' ASN . 21.5 t -145.16 129.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.567 ' ND2' HG12 ' A' ' 73' ' ' VAL . 67.8 m-80 60.5 30.46 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.3 28.23 64.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.0 140.01 53.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.309 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 t -72.5 115.73 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.422 ' CZ ' ' HB ' ' A' ' 73' ' ' VAL . 4.0 m-85 -100.29 38.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 68.9 mt -106.28 -33.8 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -118.43 34.08 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.5 tt -103.66 143.12 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.47 163.59 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.467 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.2 t60 -71.03 -49.04 49.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -64.96 -38.01 89.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -62.62 -42.63 99.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.36 -33.56 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 83' ' ' HIS . 21.7 t -80.95 -40.38 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -39.14 68.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.4 tp -71.27 -31.42 67.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.542 ' HB3' HD12 ' A' ' 34' ' ' LEU . 14.8 mt -79.55 -34.87 40.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.26 72.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.67 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.86 155.67 37.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -66.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.655 ' CE1' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -90.72 142.3 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 34' ' ' LEU . 7.2 mt -137.17 110.53 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.404 HG21 ' NZ ' ' A' ' 23' ' ' LYS . 1.9 mp -111.32 92.94 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.38 150.05 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.8 m -127.54 79.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.3 m -90.58 152.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.58 158.95 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HG2' HD12 ' A' ' 71' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -95.57 110.43 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 134.94 42.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.35 99.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.44 114.8 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.695 HD21 ' OG ' ' A' ' 62' ' ' SER . 96.8 mt -114.62 109.14 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.86 103.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.794 HD11 HD11 ' A' ' 96' ' ' LEU . 17.0 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.618 HD11 HD13 ' A' ' 96' ' ' LEU . 5.3 mt -93.93 -57.93 2.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.94 30.58 6.66 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.814 HD11 HD13 ' A' ' 64' ' ' LEU . 64.7 mt -106.52 155.91 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -117.55 84.82 2.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.423 HG22 HG12 ' A' ' 50' ' ' ILE . 3.6 pt -83.12 144.37 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.196 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.16 146.26 46.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.23 145.03 7.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.49 -154.21 15.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.426 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.95 -31.15 70.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.58 -31.67 72.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -110.76 16.53 21.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.321 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.87 25.42 15.99 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.716 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 tp -124.89 157.37 36.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.39 173.69 19.62 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 mm -90.05 122.31 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -126.81 -176.35 3.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' ' 68' ' ' ASP . 27.1 mt -130.21 149.32 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 50' ' ' ILE . 37.5 p -157.75 35.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.39 150.8 10.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.629 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.98 135.52 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.18 148.52 98.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.84 62.31 3.1 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.597 2.198 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.65 98.65 2.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.69 -171.27 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.56 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.46 -49.47 14.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.26 -36.65 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.6 -30.01 60.69 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.695 ' OG ' HD21 ' A' ' 26' ' ' LEU . 1.3 m -68.11 -68.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.84 59.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.814 HD13 HD11 ' A' ' 36' ' ' LEU . 1.6 mt -108.32 171.73 7.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.14 177.86 7.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.5 m -98.78 31.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.76 28.62 0.6 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.439 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.545 ' HB2' HD12 ' A' ' 50' ' ' ILE . 80.0 m-20 -96.41 162.54 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -122.24 122.8 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.9 mt -80.83 115.65 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.437 HD12 ' HG2' ' A' ' 21' ' ' GLU . 77.8 mt -84.41 -38.08 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.12 162.16 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.97 118.87 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 60.59 31.15 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.56 28.72 46.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.11 140.56 50.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.54 111.46 12.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.735 ' CD2' HG21 ' A' ' 81' ' ' ILE . 5.2 m-85 -103.93 32.94 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.1 -31.63 27.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -139.61 41.95 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.735 HG21 ' CD2' ' A' ' 78' ' ' PHE . 1.2 tt -88.39 142.75 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.18 152.99 31.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -60.03 -52.2 66.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.68 -49.99 75.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.2 -31.03 70.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.93 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.071 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 t -68.02 -45.67 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.82 -48.98 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.694 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 21.3 tp -60.79 -33.66 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.497 HD22 HD13 ' A' ' 34' ' ' LEU . 13.2 mt -77.06 -35.16 56.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -106.2 70.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -171.33 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -79.13 148.6 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -71.46 -61.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -76.43 131.85 39.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.794 HD11 HD11 ' A' ' 28' ' ' LEU . 20.2 mt -135.03 108.19 7.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.2 82.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.62 147.44 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 m -121.22 91.52 3.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.33 158.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -121.7 165.24 16.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.741 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -107.64 114.77 28.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.491 ' HG2' HG22 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -99.35 122.49 42.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -112.34 90.82 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -77.49 120.4 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 62' ' ' SER . 88.1 mt -117.11 117.25 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.05 93.44 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.029 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD11 HD11 ' A' ' 96' ' ' LEU . 77.6 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.648 HD21 HD12 ' A' ' 96' ' ' LEU . 78.6 mt -91.74 -41.84 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.6 43.35 29.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.495 HD22 HG21 ' A' ' 50' ' ' ILE . 15.7 mt -117.7 133.64 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 m -94.34 78.66 3.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.2 pt -77.06 159.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -138.68 166.97 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.8 158.58 25.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.553 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.08 -177.71 47.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.28 -32.28 70.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -46.11 75.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -85.93 4.23 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.376 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.25 44.85 94.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.563 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.5 tp -139.24 155.77 47.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.86 -163.0 4.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.62 HG22 HD12 ' A' ' 70' ' ' ILE . 25.9 mm -114.07 105.95 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -112.07 179.17 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.495 HG21 HD22 ' A' ' 36' ' ' LEU . 4.7 mt -127.32 132.42 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -143.26 41.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.71 149.39 11.94 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.718 HG12 ' OE1' ' A' ' 60' ' ' GLU . 21.6 t -152.27 96.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.35 111.15 4.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.05 108.13 0.26 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.45 2.1 . . . . 0.0 112.299 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.7 30.11 4.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.2 p -107.59 165.23 11.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.14 -32.0 70.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.37 -35.74 54.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.718 ' OE1' HG12 ' A' ' 53' ' ' VAL . 2.0 tp10 -61.72 -34.91 76.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.87 57.11 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.627 ' HB2' HD21 ' A' ' 26' ' ' LEU . 3.2 t -62.62 -44.77 95.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.87 35.73 0.88 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.1 mt -90.04 127.63 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.5 175.35 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.6 m -86.0 172.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.06 14.66 80.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.736 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.474 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -93.6 173.38 7.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.79 111.52 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.62 HD12 HG22 ' A' ' 48' ' ' ILE . 27.9 mt -74.75 106.56 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 101' ' ' LYS . 14.4 mt -73.93 -65.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -144.42 153.86 42.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.516 HG22 ' HG ' ' A' ' 98' ' ' LEU . 21.4 t -131.62 127.28 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 60.33 31.23 20.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.82 30.13 64.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -127.65 141.42 51.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 m -63.17 128.39 35.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.428 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -122.3 30.44 6.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.5 mt -95.08 -55.98 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -98.3 38.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.989 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.3 tt -96.77 150.77 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.66 154.85 41.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.35 -36.4 82.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -73.96 -34.93 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.73 -34.07 69.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.8 -31.75 72.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.63 -43.32 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -68.6 -31.25 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.414 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 25.5 tp -80.08 -31.37 39.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' A' ' 34' ' ' LEU . 14.9 mt -81.65 -33.62 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.37 68.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.03 -62.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 m -69.91 132.16 45.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -74.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -69.96 124.24 23.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.648 HD12 HD21 ' A' ' 34' ' ' LEU . 65.5 mt -127.32 114.58 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.491 HG22 ' HG2' ' A' ' 23' ' ' LYS . 16.0 mt -110.32 91.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 73' ' ' VAL . 5.3 mp -83.61 155.52 23.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.66 95.32 3.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.44 143.72 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.443 ' HB3' HD11 ' A' ' 71' ' ' LEU . 19.5 pttt -106.63 164.1 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.338 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -112.37 122.4 47.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.41 148.04 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.7 88.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -80.67 143.8 32.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 62' ' ' SER . 65.8 mt -146.28 132.64 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.44 92.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 93' ' ' SER . 85.1 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.775 0.321 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.761 HD11 HD13 ' A' ' 96' ' ' LEU . 76.9 mt -86.34 -35.54 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.72 33.01 58.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -106.3 149.97 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -113.53 84.62 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 pt -84.67 163.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.69 179.36 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.682 ' CA ' HD23 ' A' ' 46' ' ' LEU . . . 69.61 174.68 12.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.12 179.55 48.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.393 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.73 66.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 111.075 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -34.23 73.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -97.18 13.58 28.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.293 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 53.56 31.57 44.67 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.709 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.682 HD23 ' CA ' ' A' ' 40' ' ' GLY . 29.0 tp -124.2 134.74 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.63 -166.83 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 70' ' ' ILE . 28.3 mm -109.1 101.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.435 ' CD2' ' HG2' ' A' ' 69' ' ' GLN . 83.7 m-85 -101.35 -174.99 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.0 mt -134.41 135.4 54.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 p -147.47 36.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.99 137.77 3.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.582 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.13 119.7 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.41 137.05 55.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.67 113.4 3.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.552 2.168 . . . . 0.0 112.364 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.15 -27.47 8.55 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -58.92 170.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.0 -44.37 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.41 70.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -32.75 63.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.59 -28.43 43.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.581 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -64.66 -55.5 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.59 56.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mt -107.32 171.79 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.82 -179.71 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 66' ' ' VAL . 5.9 m -98.62 102.11 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.82 -20.51 2.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.619 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -55.81 151.45 11.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.871 0.367 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.435 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 14.0 tm0? -112.85 107.01 15.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 48' ' ' ILE . 4.8 mt -64.72 109.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD21 ' HD2' ' A' ' 101' ' ' LYS . 27.9 mt -74.22 -48.96 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.28 161.73 37.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.431 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.9 t -140.96 127.12 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 60.39 31.25 20.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.67 28.25 63.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 ttt-85 -125.08 137.32 54.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.325 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.73 123.66 19.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' CE1' HD23 ' A' ' 89' ' ' LEU . 1.3 m-85 -110.89 31.01 6.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 mt -100.35 -41.57 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -111.89 32.97 5.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 tt -94.4 145.46 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.99 154.8 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -64.1 -54.22 37.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -64.28 -34.41 78.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.15 -34.93 79.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.16 83.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.22 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -35.01 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.785 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 78' ' ' PHE . 56.3 tp -76.09 -41.8 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.31 -31.87 62.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -108.31 73.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.5 t -175.94 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -64.6 152.31 42.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -32.9 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.05 124.1 49.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 34' ' ' LEU . 9.6 mt -130.69 118.03 20.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.13 72.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.07 132.03 47.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 m -113.29 92.28 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.3 m -91.92 163.97 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.428 ' HD2' HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -114.34 154.11 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -95.72 132.38 40.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -112.99 137.54 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 t -127.75 92.06 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -80.75 127.12 32.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' CD2' ' A' ' 34' ' ' LEU . 18.8 mt -129.98 130.48 45.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.55 106.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.823 0.344 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.615 ' CD2' HD12 ' A' ' 26' ' ' LEU . 12.1 mt -89.65 -62.41 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.53 40.6 2.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD21 ' HB1' ' A' ' 59' ' ' ALA . 1.2 mt -124.65 148.0 48.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 m -104.25 90.89 3.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.0 pt -84.46 137.11 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 ptt85 -121.35 158.96 27.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.58 148.27 8.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -164.75 -175.56 35.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -66.65 -30.4 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.078 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -32.74 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -95.07 16.41 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.253 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.01 26.33 19.12 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.745 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.8 tp -130.5 146.94 52.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.11 -179.29 21.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 81' ' ' ILE . 28.2 mm -91.51 117.67 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -115.12 -177.58 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.0 mt -130.97 140.35 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.415 ' HA ' HG12 ' A' ' 66' ' ' VAL . 9.5 t -163.09 43.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.478 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -163.4 146.74 11.99 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.485 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -148.94 115.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.74 0.305 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.41 129.37 92.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.55 103.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.417 2.078 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.65 70.58 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 p -130.22 179.5 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.17 -51.6 65.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.591 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -60.25 -31.14 69.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -70.2 -36.2 74.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.37 -39.85 21.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -69.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.91 61.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.591 HD12 ' HB1' ' A' ' 59' ' ' ALA . 46.4 mt -123.21 122.39 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.63 -174.91 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 52' ' ' GLY . 14.5 m -95.16 136.88 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.1 -27.86 9.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -60.26 156.32 15.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.306 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -117.29 122.86 45.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.74 ' HA ' HG12 ' A' ' 100' ' ' VAL . 32.3 mt -77.95 133.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.88 -48.4 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -160.88 159.59 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.1 t -141.82 126.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 60.38 31.28 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.76 27.39 67.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.07 146.16 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -74.64 118.0 17.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -109.15 29.78 7.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.0 mt -94.14 -51.61 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.769 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.507 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 17.5 t-20 -107.84 31.53 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.5 HG23 HD11 ' A' ' 48' ' ' ILE . 3.4 tt -84.71 147.54 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -74.07 155.33 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.832 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.1 t60 -62.9 -42.93 99.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.18 -40.15 74.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -63.28 -45.88 89.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.0 72.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 83' ' ' HIS . 27.5 t -77.09 -46.94 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -66.44 -44.57 82.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.64 -32.79 74.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 90' ' ' LEU . 31.1 mt -81.31 -21.17 39.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.93 57.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -158.74 -57.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -59.05 173.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.16 -35.5 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.476 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.1 t-160 -108.76 116.79 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 95' ' ' HIS . 8.9 mt -122.92 103.32 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.3 mt -107.77 77.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.559 ' HA ' HG22 ' A' ' 73' ' ' VAL . 4.0 mp -66.96 144.26 56.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 m -120.05 91.67 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' A' ' 70' ' ' ILE . 31.3 m -104.43 159.64 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -107.38 141.73 38.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -102.11 149.42 24.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 142.33 50.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.54 105.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -88.45 138.3 31.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.484 HD12 HD22 ' A' ' 34' ' ' LEU . 90.2 mt -131.89 129.9 40.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.7 t -102.41 109.02 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.342 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 96' ' ' LEU . 71.1 mt -82.09 -35.79 28.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.94 49.73 45.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -118.09 124.38 47.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.7 m -81.95 92.12 6.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.6 pt -92.71 152.01 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -141.24 141.56 33.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.44 147.43 22.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.68 -168.66 38.26 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.43 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -66.03 -39.32 90.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -63.34 -38.66 92.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -93.94 4.2 54.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.59 43.82 94.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.604 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.3 tp -145.77 157.32 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.37 -178.27 24.09 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.543 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.536 HG22 HD12 ' A' ' 70' ' ' ILE . 29.1 mm -97.36 118.73 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.432 ' CD1' ' HG2' ' A' ' 69' ' ' GLN . 70.2 m-85 -125.88 -175.02 3.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.585 HD12 ' HB2' ' A' ' 68' ' ' ASP . 28.5 mt -135.08 140.09 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.7 p -144.5 29.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.04 151.3 10.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.593 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.52 121.06 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.02 110.16 2.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.71 99.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.433 2.089 . . . . 0.0 112.286 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.69 30.23 4.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.531 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.7 p -100.81 178.16 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.17 -31.83 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 64' ' ' LEU . . . -75.66 -42.36 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.193 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -66.66 -35.47 80.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.19 -30.29 71.84 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.563 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.4 t -67.64 -57.59 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.96 49.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' CD1' ' HB1' ' A' ' 59' ' ' ALA . 7.9 mt -105.0 170.3 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.967 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 178.47 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.96 144.39 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.31 -23.13 32.67 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.543 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.585 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -57.58 156.46 8.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.986 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.432 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 20.1 tm0? -122.07 116.44 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.536 HD12 HG22 ' A' ' 48' ' ' ILE . 36.1 mt -73.44 120.91 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.082 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.6 mt -89.46 -65.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 pm0 -140.26 153.99 46.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.98 125.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.594 HD21 HD23 ' A' ' 96' ' ' LEU . 8.3 m-80 60.57 30.7 19.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.59 27.98 56.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.84 128.82 50.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.3 m -67.64 110.31 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.5 m-85 -95.43 67.7 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 mt -120.42 -42.03 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.43 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 57.5 t30 -115.93 37.82 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.539 HD11 ' HG2' ' A' ' 85' ' ' GLU . 2.3 tt -96.54 143.17 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.053 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.59 159.37 18.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.7 t60 -65.56 -45.58 82.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.23 -38.89 78.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.539 ' HG2' HD11 ' A' ' 81' ' ' ILE . 11.0 tt0 -60.21 -38.26 82.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.68 81.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.062 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.489 HG13 ' NZ ' ' A' ' 91' ' ' LYS . 21.4 t -77.91 -42.35 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -69.05 -44.22 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 27.7 tp -65.0 -37.77 88.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.532 ' O ' HD11 ' A' ' 96' ' ' LEU . 52.7 mt -73.91 -33.64 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.489 ' NZ ' HG13 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -108.37 67.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -160.78 -46.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -84.87 -175.24 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.29 -74.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -70.91 108.83 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.636 HD13 HD11 ' A' ' 34' ' ' LEU . 93.2 mt -115.32 107.65 15.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.9 83.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.86 140.77 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -120.61 96.26 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.87 171.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -137.43 167.83 20.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -141.18 -59.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.94 32.0 5.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.88 68.53 1.47 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -114.73 -177.35 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 p -140.9 -47.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.65 31.26 7.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.65 -42.29 12.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.96 -46.29 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -174.18 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.6 p -163.24 -45.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER 61.68 114.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.607 HD12 HG22 ' A' ' 12' ' ' THR . 2.2 mp 60.29 158.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 158.74 16.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 tp -160.64 140.5 11.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mp -93.54 139.66 30.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -128.22 91.52 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.54 85.05 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.14 175.08 26.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.564 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.26 31.42 4.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.33 149.02 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -141.75 116.61 9.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -89.15 111.97 22.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.496 HG13 ' OG ' ' A' ' 62' ' ' SER . 21.5 t -100.61 98.54 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -93.14 121.77 34.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' ' 62' ' ' SER . 21.7 mt -124.17 144.14 50.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.75 116.87 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 32' ' ' ARG . 25.8 mt -96.65 163.35 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.19 -109.13 2.82 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.88 94.42 4.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.65 25.07 12.31 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.506 ' HB3' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -91.76 -178.48 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 110.893 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 m -172.88 174.21 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.96 HD11 HD13 ' A' ' 96' ' ' LEU . 4.8 mt -91.05 -32.65 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.19 32.45 76.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.749 HD11 ' HB1' ' A' ' 59' ' ' ALA . 86.7 mt -108.55 125.88 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 m -84.46 85.09 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.7 pt -76.51 153.42 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 168.46 18.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.48 ' CA ' HD23 ' A' ' 46' ' ' LEU . . . 81.27 164.97 33.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.86 172.82 41.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.414 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.1 -33.36 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.056 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.28 -36.29 77.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -95.85 -31.1 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.45 28.24 7.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.48 HD23 ' CA ' ' A' ' 40' ' ' GLY . 43.4 tp -120.01 152.23 37.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.19 -176.12 8.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -102.96 96.31 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 6.3 m-85 -107.17 -176.93 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 68' ' ' ASP . 2.0 mp -128.95 134.57 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 p -140.56 35.42 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -175.77 135.25 2.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.1 t -135.51 125.16 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.76 141.84 87.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.94 81.88 2.1 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.554 2.17 . . . . 0.0 112.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.45 40.73 0.92 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.534 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -102.39 179.72 4.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.32 -29.83 57.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.749 ' HB1' HD11 ' A' ' 36' ' ' LEU . . . -75.94 -32.25 59.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.5 -45.55 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.15 -43.93 98.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.547 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.612 ' HB2' HD21 ' A' ' 26' ' ' LEU . 10.1 t -60.17 -40.42 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.12 41.02 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -105.52 132.74 51.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.93 177.34 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 52' ' ' GLY . 29.2 m -68.4 153.98 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.55 -28.29 13.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.562 ' O ' HD12 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -61.09 149.05 38.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.939 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.3 tm0? -115.19 111.41 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.775 ' HA ' HG12 ' A' ' 100' ' ' VAL . 38.2 mt -73.41 113.79 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.97 -62.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.64 158.25 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG12 HD22 ' A' ' 74' ' ' ASN . 21.5 t -141.06 130.32 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.43 HD22 HG12 ' A' ' 73' ' ' VAL . 5.1 m-80 60.78 30.79 19.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.41 28.34 66.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 131.61 53.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.7 m -63.6 113.5 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.464 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 2.5 m-85 -98.72 30.49 3.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -92.41 -31.57 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -126.06 37.35 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.98 137.8 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.58 161.18 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.75 ' O ' HG23 ' A' ' 87' ' ' VAL . 62.6 t60 -69.78 -51.97 29.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -65.91 -31.8 72.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.68 -34.28 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.16 63.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 83' ' ' HIS . 29.2 t -79.7 -30.98 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -87.31 -41.33 13.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.464 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 51.7 tp -59.76 -31.05 69.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.572 ' O ' HD11 ' A' ' 96' ' ' LEU . 16.9 mt -76.25 -34.8 59.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -98.31 36.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 t -133.28 -47.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 t -75.43 146.98 40.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.37 -62.81 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.3 100.84 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.96 HD13 HD11 ' A' ' 34' ' ' LEU . 57.9 mt -94.46 109.07 20.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.17 74.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.455 HD11 HD22 ' A' ' 90' ' ' LEU . 1.9 mp -70.19 115.29 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.4 m -102.94 89.41 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.775 HG12 ' HA ' ' A' ' 70' ' ' ILE . 26.8 m -102.63 164.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -113.37 157.27 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.59 90.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.95 82.63 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.4 80.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.542 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -129.57 -58.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.68 142.66 25.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.84 -51.52 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.502 2.135 . . . . 0.0 112.381 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 108' ' ' HIS . 0.3 OUTLIER 177.8 111.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -133.01 179.33 6.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.11 -46.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.1 p -130.05 75.12 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.584 ' O ' HG13 ' A' ' 113' ' ' VAL . 3.7 m -116.43 28.22 8.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 112' ' ' THR . 3.4 m -160.72 110.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.56 98.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HG3' HG23 ' A' ' 116' ' ' THR . 12.3 pt-20 -69.77 -42.68 73.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 115' ' ' GLU . 70.4 p -79.12 -28.58 42.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.9 tttt 63.43 71.27 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 49.6 m95 59.21 107.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.6 pt -78.56 176.02 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -136.84 122.86 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.0 m -114.46 171.97 7.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.34 90.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.2 m -141.24 168.64 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.23 -70.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.19 141.71 47.96 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.591 2.194 . . . . 0.0 112.334 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.5 m -154.49 31.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 m -109.26 -50.09 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.552 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -99.45 79.96 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -99.42 79.54 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.74 75.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 132.34 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.807 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -108.06 31.3 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.26 77.28 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -122.47 79.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -105.66 -40.88 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -147.12 83.22 1.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -124.74 -66.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.34 87.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mp -129.57 31.71 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -103.76 121.1 42.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.49 153.44 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 tp -109.16 -29.54 8.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 62.33 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.4 128.17 0.61 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.439 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.83 -167.38 12.26 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -108.53 115.96 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -118.05 138.28 52.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -103.35 114.52 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.58 140.15 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.93 84.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -70.17 110.53 5.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.658 HD21 ' HB2' ' A' ' 62' ' ' SER . 52.9 mt -118.15 126.79 52.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.6 t -104.29 90.88 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.929 HD11 HD11 ' A' ' 96' ' ' LEU . 72.2 mt -67.44 -178.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.86 72.11 0.47 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 62.02 31.03 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.92 59.81 0.45 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.533 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -92.12 -4.09 54.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.654 0.264 . . . . 0.0 111.429 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m 61.09 155.9 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.648 ' CD1' HD22 ' A' ' 90' ' ' LEU . 14.1 mt -92.29 -47.78 7.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.19 30.65 12.04 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.559 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 52' ' ' GLY . 39.4 mt -110.0 145.35 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 m -105.28 78.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 pt -72.05 166.48 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.46 163.52 36.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.64 170.74 46.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.48 168.17 34.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.406 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.65 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.92 -61.87 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -62.09 -29.09 70.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.68 27.46 7.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.407 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.429 HD11 ' HE2' ' A' ' 49' ' ' TYR . 53.6 tp -130.37 147.86 52.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.49 -148.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.411 HD11 HG23 ' A' ' 81' ' ' ILE . 27.6 mm -125.12 123.95 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.429 ' HE2' HD11 ' A' ' 46' ' ' LEU . 92.5 m-85 -129.21 -177.43 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG21 HD22 ' A' ' 36' ' ' LEU . 32.1 mt -132.21 141.1 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.7 p -153.7 40.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.638 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -169.12 143.18 7.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.444 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.47 118.44 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 0.0 111.02 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.25 143.98 83.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.42 102.87 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.561 2.174 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.63 34.61 7.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.6 p -96.58 168.74 10.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -68.19 -31.62 71.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.9 -35.5 67.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -72.59 -31.1 64.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.89 -43.9 90.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.571 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.658 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -60.24 -49.18 78.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.25 44.23 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.528 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.0 148.87 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.815 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.84 173.73 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -86.97 133.13 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.82 -19.66 23.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.42 149.53 13.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 110.996 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -107.92 110.64 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.415 ' HA ' HG12 ' A' ' 100' ' ' VAL . 27.5 mt -73.78 112.62 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.69 -61.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -143.54 160.8 39.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.64 126.81 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 60.41 35.88 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.99 28.17 67.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.436 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -132.67 130.7 40.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.27 137.64 58.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.6 m-85 -120.58 31.27 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.34 -57.47 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -98.24 35.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 48' ' ' ILE . 3.6 tt -92.76 137.9 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.7 164.33 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.823 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.408 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.4 t60 -73.49 -31.55 63.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.13 -39.62 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -62.23 -34.52 76.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -65.55 -31.13 72.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 83' ' ' HIS . 21.5 t -82.7 -51.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -60.48 -34.38 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.634 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 17.1 tp -78.48 -31.18 47.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.648 HD22 ' CD1' ' A' ' 34' ' ' LEU . 20.7 mt -82.5 -33.07 28.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.08 75.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -176.91 -43.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.523 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -81.75 154.45 25.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -76.7 -61.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -90.43 123.29 34.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.929 HD11 HD11 ' A' ' 28' ' ' LEU . 8.7 mt -122.57 103.79 8.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.0 mt -99.59 89.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.56 158.07 24.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.1 m -130.21 85.11 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 70' ' ' ILE . 15.9 m -100.1 148.71 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.05 175.28 5.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -72.37 125.78 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.29 86.02 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.8 26.26 20.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -95.02 177.99 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 tt -141.66 101.86 5.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.03 -179.76 2.35 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.391 2.061 . . . . 0.0 112.291 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -115.35 -54.79 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 61.03 166.31 0.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.035 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -151.25 84.93 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.07 81.12 3.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 p -135.25 57.5 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t 63.05 148.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.9 99.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -93.45 68.76 4.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.0 m -117.84 -42.29 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.1 83.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -105.51 -38.24 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.401 HD12 ' OG ' ' A' ' 122' ' ' SER . 15.3 pt -110.77 123.27 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.18 112.72 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.94 112.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.401 ' OG ' HD12 ' A' ' 119' ' ' ILE . 3.6 m -97.98 110.27 22.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.5 p -139.4 176.52 8.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -166.38 53.18 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.592 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.98 176.69 6.6 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.515 2.143 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 m 60.27 58.83 2.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.3 t -72.72 -31.35 64.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.534 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.96 159.67 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.23 128.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.43 -133.85 1.98 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -73.28 138.25 45.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -71.07 148.2 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.68 -101.48 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.487 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -106.11 117.62 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.6 mtm-85 -78.09 172.42 13.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -111.15 95.41 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.51 95.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.8 m -97.28 80.72 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mt -137.19 -53.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -150.95 164.22 36.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.31 84.08 2.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.784 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.94 84.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -98.67 136.94 38.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.35 42.51 0.21 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.05 140.31 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.35 30.39 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.04 141.52 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -89.99 147.27 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -128.92 122.77 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.438 HG11 ' HG ' ' A' ' 64' ' ' LEU . 21.5 t -119.57 90.75 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -81.64 128.05 33.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 62' ' ' SER . 50.4 mt -137.9 128.52 26.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 t -105.42 124.89 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.663 HD11 HD11 ' A' ' 96' ' ' LEU . 60.9 mt -100.21 149.45 23.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.99 -92.33 0.17 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.47 -49.14 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.03 43.42 1.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -98.04 -177.7 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -164.46 151.58 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 96' ' ' LEU . 14.0 mt -65.59 -48.81 71.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.54 35.38 8.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.628 HD11 HD13 ' A' ' 64' ' ' LEU . 91.2 mt -111.95 130.15 55.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -91.84 84.71 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 pt -70.09 169.77 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HG3' HG21 ' A' ' 51' ' ' THR . 0.0 OUTLIER -140.84 176.92 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.46 -174.76 7.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.04 179.85 38.53 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.59 76.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -47.13 70.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -71.01 -30.09 66.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.59 33.12 7.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.434 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.5 tp -135.7 155.28 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.42 -166.08 1.07 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.6 mm -117.18 89.15 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -90.16 -174.99 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 37.4 mt -131.99 114.9 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.414 HG21 ' HG3' ' A' ' 39' ' ' ARG . 4.2 t -132.57 47.78 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.37 134.45 3.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.41 96.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.084 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.82 148.21 92.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 122.12 8.38 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.497 2.132 . . . . 0.0 112.287 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.87 34.18 43.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.0 p -95.53 161.73 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.56 -31.86 71.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.45 75.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -69.46 -31.49 69.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.51 -37.06 53.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.517 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.12 -68.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.25 44.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.628 HD13 HD11 ' A' ' 36' ' ' LEU . 53.5 mt -109.46 101.45 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -97.17 -172.66 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.6 m -84.63 147.1 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.79 ' O ' HG21 ' A' ' 103' ' ' VAL . . . 99.24 -29.08 12.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.59 119.41 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.049 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -89.31 113.75 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' ' 100' ' ' VAL . 40.2 mt -73.33 113.8 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt -83.77 -40.21 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pm0 -161.08 159.09 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.431 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.5 t -146.32 128.15 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 60.37 30.92 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.3 27.69 57.22 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.599 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -129.06 136.6 50.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -67.17 117.61 9.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.6 m-85 -103.72 30.09 5.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.2 mt -102.37 -31.04 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -122.81 33.68 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.5 tt -97.76 154.03 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.66 155.66 40.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.556 ' O ' HG23 ' A' ' 87' ' ' VAL . 2.8 t60 -63.45 -55.32 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.71 -41.15 97.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -59.92 -33.12 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.89 -33.86 62.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 83' ' ' HIS . 20.0 t -79.92 -29.52 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -31.7 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.7 tp -76.83 -34.48 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' A' ' 34' ' ' LEU . 17.5 mt -77.07 -31.21 55.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -103.22 42.83 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.0 t -141.63 -50.63 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.5 t -76.57 140.46 41.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -66.89 -54.35 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.422 ' CD2' HD11 ' A' ' 97' ' ' ILE . 0.8 OUTLIER -83.44 135.41 34.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.663 HD11 HD11 ' A' ' 28' ' ' LEU . 18.4 mt -137.37 122.28 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 97' ' ' ILE . 3.5 mp -129.92 82.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.515 HD23 HD13 ' A' ' 70' ' ' ILE . 5.3 mp -75.48 151.96 37.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.1 m -127.12 88.05 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' ' 70' ' ' ILE . 28.9 m -100.33 158.91 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 162.75 14.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -70.15 95.47 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.79 HG21 ' O ' ' A' ' 67' ' ' GLY . 29.2 t -62.44 -32.22 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.66 -61.11 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.47 96.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.7 mt -116.11 118.97 37.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.791 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -52.06 -57.3 2.21 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.371 2.047 . . . . 0.0 112.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.5 161.37 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.2 97.0 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.219 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -128.91 102.44 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.35 166.13 25.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.1 m -107.1 -31.67 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.29 115.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.16 -46.83 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.4 129.2 34.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.49 -47.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.73 32.75 5.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 61.93 173.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 119' ' ' ILE . 1.4 tp -59.39 114.2 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.64 118.51 12.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.057 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 101.98 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.5 t -100.91 82.97 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 m -145.81 -177.72 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 61.68 61.19 7.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.524 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.78 143.44 47.75 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.574 2.182 . . . . 0.0 112.284 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.24 -51.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.71 31.76 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.485 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -173.94 92.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.74 160.02 16.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.43 -45.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.555 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -130.09 -176.38 3.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.12 152.29 18.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.71 138.54 42.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.81 150.06 48.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.363 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -118.74 -60.26 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -60.03 152.28 24.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -133.18 -55.9 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p 56.4 32.71 21.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.32 142.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -150.11 -46.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.8 tp -167.96 135.94 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.85 174.14 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -100.02 155.69 17.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.23 135.74 7.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.69 63.6 0.26 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.56 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -102.59 134.12 46.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.63 161.11 24.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -126.8 162.46 25.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.53 135.11 42.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.565 HG13 ' OG ' ' A' ' 62' ' ' SER . 21.4 t -123.2 90.51 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -76.64 119.21 20.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 34' ' ' LEU . 72.8 mt -123.0 137.05 55.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.23 108.96 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 96' ' ' LEU . 3.3 mt -95.67 163.87 13.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.06 43.9 1.58 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.399 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 59.79 39.2 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.54 -39.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.2 mmp_? -59.36 175.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.3 p -149.06 171.53 16.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.519 ' CD2' HD12 ' A' ' 26' ' ' LEU . 8.7 mt -79.52 -35.96 39.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.88 40.79 93.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.526 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD11 ' HB1' ' A' ' 59' ' ' ALA . 19.7 mt -116.36 137.12 52.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 m -94.74 85.92 4.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.8 pt -72.06 151.76 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -133.62 156.19 48.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.8 150.85 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -159.12 171.54 35.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -60.91 -30.22 70.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 111.071 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -73.07 -30.7 63.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -95.26 18.84 11.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.259 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.06 26.07 18.88 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.781 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 tp -130.1 138.93 50.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.26 -176.04 2.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 70' ' ' ILE . 30.3 mm -98.41 115.25 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -119.34 -175.71 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.2 mt -127.09 143.23 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.453 ' HA ' HG12 ' A' ' 66' ' ' VAL . 4.7 t -157.18 42.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -173.62 139.84 5.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.514 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.31 109.75 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 111.085 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.98 145.44 53.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.72 136.08 22.7 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.516 2.144 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.6 31.08 51.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.7 p -107.33 150.48 26.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.735 0.303 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -32.04 72.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' A' ' 64' ' ' LEU . . . -72.47 -31.19 65.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.19 -31.17 65.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.4 -33.42 64.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.565 ' OG ' HG13 ' A' ' 24' ' ' VAL . 1.4 t -71.32 -38.48 71.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.71 39.83 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.627 HD13 ' HB1' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -88.84 120.29 30.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.83 178.81 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.574 HG12 ' N ' ' A' ' 52' ' ' GLY . 15.6 m -84.74 149.63 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.95 -26.35 23.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.91 151.91 20.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -118.61 116.97 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.53 HD12 HG22 ' A' ' 48' ' ' ILE . 32.6 mt -72.99 134.09 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.7 mt -104.01 -49.23 3.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -156.68 152.92 27.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.4 t -139.9 128.02 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 60.47 31.23 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.78 27.9 59.98 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.51 134.93 54.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.84 109.98 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.45 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.6 m-85 -101.47 30.24 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.11 -31.66 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.429 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 9.1 p-10 -137.29 74.49 1.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.488 HD11 ' HG2' ' A' ' 85' ' ' GLU . 5.7 tt -127.16 150.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.7 mt -60.48 156.87 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.732 ' O ' HG23 ' A' ' 87' ' ' VAL . 85.6 t60 -66.49 -31.31 71.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -83.93 -42.47 16.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.488 ' HG2' HD11 ' A' ' 81' ' ' ILE . 16.5 tt0 -60.25 -36.88 78.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.04 84.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 83' ' ' HIS . 27.8 t -70.76 -53.25 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.94 -45.19 93.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.45 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 40.3 tp -64.68 -31.37 72.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.89 -35.34 57.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -107.7 58.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.1 t -148.68 -50.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -76.32 150.04 36.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -73.25 -45.43 55.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.0 112.77 24.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.582 ' CD1' HD11 ' A' ' 28' ' ' LEU . 16.0 mt -115.57 117.58 30.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mt -119.49 80.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.615 ' HA ' HG22 ' A' ' 73' ' ' VAL . 4.1 mp -68.95 141.14 55.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -114.68 92.71 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.24 143.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -100.01 164.73 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -71.93 96.81 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.03 -60.5 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.051 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.14 63.36 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.517 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -40.18 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp -108.31 163.75 16.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.74 174.88 9.7 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.574 2.183 . . . . 0.0 112.301 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -119.38 125.45 49.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.29 -39.57 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 62.77 -80.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.971 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.94 158.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.02 144.69 40.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.0 -30.98 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.48 137.46 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 109.87 16.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.32 -45.02 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.74 30.72 16.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -164.59 89.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 119' ' ' ILE . 0.7 OUTLIER -102.67 120.39 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -119.12 36.48 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 m 59.0 173.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.6 t -135.13 122.31 21.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p -132.25 115.83 16.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.93 74.16 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.17 137.51 54.66 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.627 2.218 . . . . 0.0 112.283 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m -92.72 -59.81 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 82.8 p -134.37 31.4 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.492 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -151.73 163.1 39.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.88 158.15 2.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.59 28.89 7.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.09 95.38 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.75 54.97 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.18 -50.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.66 172.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -109.07 108.46 19.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -95.29 149.6 21.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m 60.57 85.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 p -77.67 -33.2 53.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mp -128.6 179.39 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 60.37 169.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 tp -159.61 97.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mt -93.83 145.68 24.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -77.61 -177.66 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.2 151.34 5.46 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.82 45.4 0.22 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -131.83 32.07 4.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.766 0.317 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -97.26 139.11 33.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -128.33 110.65 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HG3' HG23 ' A' ' 99' ' ' THR . 3.2 mttt -95.74 140.86 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG11 ' HB3' ' A' ' 62' ' ' SER . 21.4 t -135.12 103.01 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -74.19 148.67 41.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.688 HD21 ' OG ' ' A' ' 62' ' ' SER . 59.9 mt -150.67 140.2 21.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.22 107.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.858 HD11 HD11 ' A' ' 96' ' ' LEU . 78.7 mt -79.18 115.92 19.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.01 72.3 0.71 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.438 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.59 -79.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.62 75.37 0.64 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.68 166.07 25.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.91 176.32 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.64 ' CD1' HD22 ' A' ' 90' ' ' LEU . 24.7 mt -87.91 -46.13 9.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.64 44.9 7.58 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD21 ' HB1' ' A' ' 59' ' ' ALA . 17.3 mt -119.87 133.46 55.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 m -93.18 72.44 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 87' ' ' VAL . 2.1 pt -70.09 150.35 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.79 145.9 36.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.518 ' HA3' HD23 ' A' ' 46' ' ' LEU . . . 88.01 155.55 29.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.38 -161.65 31.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 80' ' ' ASN . . . -62.74 -29.7 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 -49.1 74.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -96.75 18.16 15.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.04 26.08 18.81 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.762 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.518 HD23 ' HA3' ' A' ' 40' ' ' GLY . 8.7 tp -118.92 151.2 38.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.326 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.29 178.42 8.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.453 HD11 HG23 ' A' ' 81' ' ' ILE . 23.9 mm -95.47 94.73 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -99.61 -177.34 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.77 HD12 ' HB2' ' A' ' 68' ' ' ASP . 40.9 mt -129.8 156.08 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.444 ' N ' HG22 ' A' ' 50' ' ' ILE . 3.9 t -166.7 42.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.722 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 176.47 140.98 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.608 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.7 133.75 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -96.65 140.45 22.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.66 117.49 4.78 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.49 2.127 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.74 -24.76 18.78 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.695 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.2 p -57.72 171.75 0.44 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.809 0.338 . . . . 0.0 110.982 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.57 -38.6 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.682 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -66.28 -39.78 89.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -41.65 97.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.55 -37.52 78.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.688 ' OG ' HD21 ' A' ' 26' ' ' LEU . 1.2 m -61.44 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.2 45.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.4 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.6 126.5 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -116.09 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.722 HG12 ' N ' ' A' ' 52' ' ' GLY . 16.7 m -78.97 136.48 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.39 -24.73 25.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.578 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.77 ' HB2' HD12 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -58.06 144.47 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.97 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -108.62 130.16 55.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.3 mt -89.96 126.49 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.67 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -135.44 165.1 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.416 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.3 t -151.18 122.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.585 HD21 HD23 ' A' ' 96' ' ' LEU . 39.9 m-80 60.15 31.15 20.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.99 28.21 50.72 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -129.17 130.78 46.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.66 118.01 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 4.2 m-85 -99.64 41.05 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.9 mt -93.57 -31.06 14.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 50.0 t30 -132.73 39.92 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.453 HG23 HD11 ' A' ' 48' ' ' ILE . 3.0 tt -94.1 146.63 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.84 161.86 6.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.8 t60 -77.68 -35.19 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -80.12 -31.53 39.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -74.31 -34.61 63.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.541 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -64.02 -30.87 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.483 HG13 ' HE2' ' A' ' 91' ' ' LYS . 21.5 t -85.4 -51.2 13.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -59.85 -41.85 92.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.86 -34.33 73.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.64 HD22 ' CD1' ' A' ' 34' ' ' LEU . 15.2 mt -77.51 -31.65 53.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.483 ' HE2' HG13 ' A' ' 87' ' ' VAL . 0.3 OUTLIER -110.38 75.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -177.12 -45.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.9 t -72.65 178.26 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -74.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -72.96 130.82 41.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.858 HD11 HD11 ' A' ' 28' ' ' LEU . 77.1 mt -133.58 116.3 15.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mt -122.5 93.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 mp -84.16 145.66 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.449 HG23 ' HG3' ' A' ' 23' ' ' LYS . 1.8 m -120.74 82.92 1.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.5 m -90.17 163.56 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.15 172.89 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.39 110.58 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.478 HG21 ' HA ' ' A' ' 68' ' ' ASP . 21.5 t -90.28 -52.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -92.58 114.2 4.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.76 22.34 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.058 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 106' ' ' LEU . 3.2 tt 61.25 92.64 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.05 149.97 71.98 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.49 2.126 . . . . 0.0 112.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.9 -43.61 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.29 142.1 41.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.18 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -61.8 -64.9 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 114' ' ' ASP . 10.7 m 60.81 85.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.2 p -75.58 -45.65 36.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.431 HG12 ' H ' ' A' ' 115' ' ' GLU . 30.0 t -128.03 -67.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.542 ' HB2' HG23 ' A' ' 111' ' ' THR . 1.7 t0 57.16 31.23 19.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.974 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.431 ' H ' HG12 ' A' ' 113' ' ' VAL . 6.5 tt0 -144.88 102.7 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.7 p -143.4 60.06 1.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -147.01 -48.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -129.85 111.94 13.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.6 mt -127.39 149.36 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -94.35 169.66 10.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.3 t -83.43 -36.01 24.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 m -153.15 -56.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.0 p -176.26 -63.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 152.26 148.8 4.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.6 129.86 16.28 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.608 2.206 . . . . 0.0 112.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.5 m -163.7 -65.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 p -115.08 -178.18 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.498 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.47 102.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.362 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -74.43 173.98 9.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.17 121.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 p -143.66 179.29 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.839 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 p 54.01 83.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.026 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.14 71.71 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -134.78 177.57 7.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.53 132.3 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -163.42 -54.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.8 p -79.83 157.35 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.55 66.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.1 178.92 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -126.36 141.81 51.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.92 38.8 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -130.71 38.18 3.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -101.66 137.15 40.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.31 -156.39 15.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.69 -45.73 1.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -130.95 31.33 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.23 129.83 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -117.75 138.66 51.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -108.69 129.18 55.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 96.76 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -80.85 128.76 34.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 62' ' ' SER . 74.7 mt -124.62 128.68 49.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.18 108.7 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.671 HD22 ' HB2' ' A' ' 32' ' ' ARG . 50.6 mt -88.38 135.07 33.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.12 -117.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.387 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.42 -75.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.76 74.87 0.43 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.426 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.671 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.2 -173.75 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.382 . . . . 0.0 110.81 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 m -145.56 -175.24 4.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.806 HD11 HD13 ' A' ' 96' ' ' LEU . 33.1 mt -100.4 -53.24 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.09 28.32 23.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.561 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD11 HD13 ' A' ' 64' ' ' LEU . 44.2 mt -105.05 140.94 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 51' ' ' THR . 18.5 m -104.59 80.36 1.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 pt -71.78 156.76 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -135.51 155.94 49.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.07 154.99 0.6 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.57 -113.2 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.22 -41.88 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.33 -46.65 89.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -78.11 -31.35 49.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.28 28.51 14.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.3 tp -120.93 148.18 44.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.42 164.21 20.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.437 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.682 HD11 HG23 ' A' ' 81' ' ' ILE . 24.7 mm -82.09 92.25 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 111.129 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.435 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 83.4 m-85 -101.67 178.07 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.667 HD12 ' HB2' ' A' ' 68' ' ' ASP . 31.2 mt -123.67 148.89 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.031 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.682 ' HA ' HG12 ' A' ' 66' ' ' VAL . 10.0 t -159.11 37.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.3 133.72 2.94 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 65' ' ' LYS . 21.6 t -137.85 97.73 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.072 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.04 110.27 2.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.36 118.47 5.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.462 2.108 . . . . 0.0 112.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.56 30.86 14.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.8 p -108.78 179.33 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -43.21 63.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.34 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.972 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HG3' HG12 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -65.68 -37.45 86.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.945 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.39 -28.01 71.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.583 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.438 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -69.64 -67.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.972 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.52 46.16 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.435 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.627 HD13 HD11 ' A' ' 36' ' ' LEU . 25.2 mt -112.62 109.24 18.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HA ' HG21 ' A' ' 53' ' ' VAL . 1.2 mptt -112.72 175.56 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 51' ' ' THR . 17.0 m -67.74 138.32 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.41 -25.38 19.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.667 ' HB2' HD12 ' A' ' 50' ' ' ILE . 5.9 m-20 -57.92 144.26 39.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.435 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -111.02 108.43 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.627 HD12 HG22 ' A' ' 48' ' ' ILE . 36.9 mt -73.31 114.56 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.5 mt -85.39 -46.94 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 pm0 -159.45 154.8 25.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.484 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.6 t -139.35 135.26 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 60.82 29.76 19.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.81 36.79 83.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.77 138.79 45.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -62.81 125.12 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -110.07 29.94 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.6 mt -87.57 -56.88 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -98.46 32.24 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.682 HG23 HD11 ' A' ' 48' ' ' ILE . 1.1 tp -89.64 136.65 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.2 165.46 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.0 OUTLIER -73.14 -49.88 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -63.8 -31.37 72.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -74.86 -31.14 61.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.06 -34.23 66.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 83' ' ' HIS . 24.2 t -79.41 -31.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -31.52 27.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 tp -77.6 -34.77 53.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.435 HD21 HG21 ' A' ' 73' ' ' VAL . 61.7 mt -78.34 -31.97 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -104.24 59.68 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.1 t -154.32 -61.01 0.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -67.28 155.34 39.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -32.01 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -104.29 99.91 9.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.806 HD13 HD11 ' A' ' 34' ' ' LEU . 21.9 mt -108.43 109.88 21.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.7 mt -107.68 72.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.037 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' HA ' HG22 ' A' ' 73' ' ' VAL . 2.8 mp -60.39 147.17 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.9 m -123.51 87.1 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.1 m -104.39 157.37 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 103' ' ' VAL . 8.6 pttt -106.06 156.54 18.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -67.88 88.23 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 101' ' ' LYS . 21.7 t -91.98 -63.06 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -109.37 89.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.578 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.01 124.41 39.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.35 156.18 56.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.992 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.55 -170.58 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.528 2.152 . . . . 0.0 112.402 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -93.86 -64.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -171.25 159.39 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.47 -67.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.94 -179.2 4.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.28 -44.98 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.5 p -179.53 -37.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.233 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.65 54.97 1.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.795 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.48 70.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.94 78.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -84.74 97.99 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -161.56 88.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 119' ' ' ILE . 21.2 mt -108.43 30.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.92 -176.39 5.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 m -119.73 76.0 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.045 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 75.1 p -101.83 133.39 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.14 173.77 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.929 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 128.35 147.85 6.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.71 -16.4 29.99 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.575 2.183 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.67 -45.08 0.21 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.15 107.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.829 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.478 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m 63.67 132.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.373 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t 60.69 -176.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.35 171.36 13.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.444 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.95 30.1 0.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m 59.49 98.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.84 82.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.55 78.28 9.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -131.5 -46.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -86.08 -67.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.77 170.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.493 ' HB ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.61 -67.1 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 12' ' ' THR . 3.1 mp -134.98 113.79 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -73.68 -68.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.8 mt -148.84 97.53 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.9 -31.56 12.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.0 -178.86 5.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.33 35.42 4.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.19 -167.97 11.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -120.61 160.52 23.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.99 122.34 35.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -97.32 122.88 40.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 136.72 44.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -128.1 89.32 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 p-10 -79.1 99.95 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.1 mt -108.71 127.63 54.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.92 126.59 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 32' ' ' ARG . 51.2 mt -109.08 -171.57 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.733 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.16 41.79 1.46 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.549 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.89 31.07 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.929 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.02 -41.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.54 ' HB2' HD22 ' A' ' 28' ' ' LEU . 7.0 mtp180 -58.14 -171.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -166.32 148.62 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.619 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.3 mt -61.89 -36.08 80.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.14 53.19 7.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -133.33 158.47 42.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.1 m -114.26 89.26 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 pt -70.01 166.59 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -138.06 177.64 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.35 -161.63 25.7 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.76 -173.07 27.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.71 -35.25 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.073 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.22 -31.7 70.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -99.98 -31.17 11.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.76 32.44 6.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.6 tp -125.04 155.47 39.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.33 177.72 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.614 HG22 HD12 ' A' ' 70' ' ' ILE . 26.8 mm -104.74 92.41 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -96.39 -178.56 4.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.5 mt -127.07 126.36 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.559 ' HA ' HG12 ' A' ' 66' ' ' VAL . 30.6 p -138.83 39.86 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.403 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -160.82 135.8 4.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.19 115.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -91.61 139.07 24.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.68 116.39 4.45 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.531 2.154 . . . . 0.0 112.317 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.92 33.38 5.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.584 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.9 p -115.85 169.16 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.71 -37.04 83.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.42 69.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.94 -31.47 71.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.83 -29.51 34.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -68.96 -49.79 54.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.63 44.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mt -105.81 125.06 50.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.52 173.61 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 51' ' ' THR . 11.9 m -78.2 137.87 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.01 -28.3 8.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.419 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.31 151.82 35.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -113.19 118.94 36.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.614 HD12 HG22 ' A' ' 48' ' ' ILE . 39.4 mt -73.54 113.06 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.6 mt -78.95 -56.29 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -154.05 162.06 41.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.5 t -137.17 122.2 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.17 33.63 21.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.42 27.65 61.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.404 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.14 124.39 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.83 119.62 11.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.758 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.2 m-85 -98.6 33.69 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.3 mt -82.82 -54.05 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -104.43 43.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.543 HD13 ' CE2' ' A' ' 78' ' ' PHE . 16.1 tt -97.31 146.75 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.08 149.26 41.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.728 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.2 t60 -60.26 -45.93 91.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.06 -38.77 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -63.51 -43.43 97.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.35 80.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 83' ' ' HIS . 28.2 t -67.45 -45.32 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -68.9 -47.62 65.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.758 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 48.0 tp -59.81 -31.56 69.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.619 HD22 ' CD1' ' A' ' 34' ' ' LEU . 20.3 mt -85.42 -30.67 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.26 69.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -177.0 -44.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.52 165.79 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -83.05 -75.67 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.62 128.59 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.557 HD13 HD11 ' A' ' 34' ' ' LEU . 91.6 mt -130.84 102.57 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.5 mt -100.89 85.46 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.27 146.41 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.0 m -122.65 85.5 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.26 143.1 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -99.19 159.96 14.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.86 106.12 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 101' ' ' LYS . 21.6 t -124.29 75.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 178.72 37.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.549 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.616 ' HB2' HD13 ' A' ' 106' ' ' LEU . 27.0 mmt85 -114.56 -45.21 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.688 HD13 ' N ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -140.27 161.05 57.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.61 130.01 34.84 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.544 2.162 . . . . 0.0 112.263 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -175.69 130.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 108' ' ' HIS . . . 68.05 -68.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.79 138.29 11.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -140.43 136.87 33.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.13 37.12 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 16.1 m -112.75 -38.47 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -75.98 101.08 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -150.13 31.7 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 74.2 p -110.41 39.7 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.77 125.02 34.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.2 m0 59.85 175.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.8 pt -86.83 155.48 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -155.51 170.59 21.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.5 p -131.23 45.38 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.89 99.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 p -171.35 140.51 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.43 58.01 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 -45.37 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.519 2.146 . . . . 0.0 112.377 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.5 p -102.71 128.97 49.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 97.9 p -133.6 124.52 26.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.507 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -72.63 -31.41 65.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t 60.92 86.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.73 -56.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.26 178.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -141.83 177.58 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.39 112.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -56.64 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.76 72.21 1.73 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.19 -169.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 p -132.15 -77.73 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.6 p -141.24 110.91 6.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.81 107.64 12.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -109.22 -30.22 8.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.66 103.43 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.75 143.09 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -31.25 18.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.27 116.02 5.47 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.85 52.93 0.5 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -86.43 105.75 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.53 134.27 47.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -113.58 142.2 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HD3' HG21 ' A' ' 97' ' ' ILE . 1.1 ttmp? -115.36 139.84 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.64 108.6 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -87.31 122.66 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.7 mt -120.34 106.8 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.46 116.59 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.666 HD22 ' HB2' ' A' ' 32' ' ' ARG . 31.1 mt -102.06 158.43 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.98 -56.35 4.87 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.44 31.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.36 46.86 0.31 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.569 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.666 ' HB2' HD22 ' A' ' 28' ' ' LEU . 20.5 mtm180 -79.56 -3.53 47.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.627 0.251 . . . . 0.0 111.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.5 m 59.94 178.53 0.09 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 96' ' ' LEU . 2.9 mt -112.97 -50.74 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.828 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.44 49.61 2.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.443 HD21 ' HB1' ' A' ' 59' ' ' ALA . 1.8 mt -134.23 131.81 38.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.9 m -96.42 89.0 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -72.19 168.46 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -141.12 169.2 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.41 166.03 4.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.535 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.53 -168.19 38.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.69 -36.6 57.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.89 -51.95 67.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -76.27 -29.63 57.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.89 29.58 9.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.2 tp -122.32 159.1 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.476 ' O ' HD13 ' A' ' 48' ' ' ILE . . . -66.04 -149.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.689 HG22 HD12 ' A' ' 70' ' ' ILE . 25.3 mm -129.99 92.93 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.745 0.307 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 69' ' ' GLN . 97.2 m-85 -91.19 -176.81 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 68' ' ' ASP . 32.0 mt -132.35 119.4 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.0 p -133.4 46.57 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.71 143.17 7.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.596 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.454 HG12 ' OE1' ' A' ' 60' ' ' GLU . 21.8 t -152.41 121.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.57 145.68 75.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.25 110.03 2.96 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.519 2.146 . . . . 0.0 112.371 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.52 34.92 34.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.3 p -94.12 173.92 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.18 -38.11 89.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -74.51 -31.58 62.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' OE1' HG12 ' A' ' 53' ' ' VAL . 2.9 tp10 -69.16 -33.21 73.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.81 -44.42 38.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t -60.62 -39.76 89.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.67 40.46 0.46 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.33 109.05 20.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -112.77 176.14 5.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.63 152.15 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.95 26.76 21.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.604 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.741 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -111.42 153.44 26.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 5.8 tm0? -120.43 111.78 18.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.689 HD12 HG22 ' A' ' 48' ' ' ILE . 14.6 mt -75.0 135.08 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -101.85 -51.24 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.0 pm0 -152.61 156.89 40.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -138.81 123.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 60.8 30.61 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.53 28.4 55.37 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.6 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -123.28 135.21 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.49 115.19 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -104.06 30.87 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 mt -92.18 -43.21 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -116.66 36.01 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 tt -91.86 148.98 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.67 151.74 37.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 87' ' ' VAL . 6.9 t60 -66.18 -41.12 90.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.27 -37.46 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.8 -37.32 87.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.37 -31.25 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.042 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 83' ' ' HIS . 30.5 t -83.46 -38.11 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -73.58 -40.67 63.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.3 tp -69.4 -38.15 77.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.8 mt -72.15 -32.7 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -106.83 71.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 t -176.01 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.92 158.23 28.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.34 -62.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -80.32 125.05 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.639 HD13 HD11 ' A' ' 34' ' ' LEU . 12.7 mt -133.04 112.14 11.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.48 HG21 ' HD3' ' A' ' 23' ' ' LYS . 15.0 mt -113.02 86.5 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 mp -80.3 134.72 36.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.2 m -111.89 91.29 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.657 HG12 ' HA ' ' A' ' 70' ' ' ILE . 23.5 m -101.23 169.33 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.664 ' O ' HG23 ' A' ' 103' ' ' VAL . 3.4 ptmt -118.91 157.4 27.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.57 86.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 101' ' ' LYS . 21.5 t -90.52 121.5 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 88.71 -52.21 3.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 60.56 111.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.513 HD23 ' HD2' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -85.93 139.87 35.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.513 ' HD2' HD23 ' A' ' 106' ' ' LEU . 58.2 Cg_endo -71.55 147.94 52.73 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.478 2.119 . . . . 0.0 112.282 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -66.27 -61.87 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 64.18 -79.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.084 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -90.86 165.46 13.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.4 m 70.0 -64.52 0.35 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 8.2 m 68.22 103.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.2 m -78.96 150.71 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -162.08 112.56 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -59.45 87.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.8 t -98.97 31.58 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.46 101.01 4.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -145.96 -174.77 4.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.7 pt -128.59 101.51 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -153.54 142.33 21.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m 61.0 157.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.33 119.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.788 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.2 m -106.05 171.28 7.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.93 -97.1 0.14 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.37 -29.86 60.38 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.55 2.167 . . . . 0.0 112.247 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.38 -47.1 13.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.5 m -59.56 143.75 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.534 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 p -135.19 147.4 49.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -93.21 -45.38 7.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.8 106.14 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.24 152.2 24.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -147.03 155.73 42.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.47 114.15 1.57 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -166.51 32.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 106.41 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -136.97 -65.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.8 p -157.02 98.76 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -146.65 -47.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.06 131.43 36.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.57 170.38 11.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.39 102.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -96.7 163.15 13.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' H ' HD23 ' A' ' 16' ' ' LEU . 2.9 mp0 -83.33 157.51 22.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.72 96.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.53 160.13 23.71 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -118.2 112.84 20.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -130.99 125.96 34.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -103.9 133.77 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.94 150.87 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.96 97.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -75.67 112.45 12.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.3 mt -118.06 117.75 30.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.25 127.03 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.5 mt -103.21 -177.91 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.45 -84.04 1.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.442 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.21 -47.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.27 28.46 3.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -76.46 -178.49 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 m -152.52 176.89 11.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.925 HD11 HD13 ' A' ' 96' ' ' LEU . 3.8 mt -96.36 -51.47 4.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.64 30.08 7.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.464 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD11 HD13 ' A' ' 64' ' ' LEU . 27.0 mt -104.15 124.37 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -93.98 78.42 4.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.425 HG21 HD12 ' A' ' 70' ' ' ILE . 4.7 pt -69.96 164.12 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -137.07 176.28 8.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.436 ' HA3' HD23 ' A' ' 46' ' ' LEU . . . 61.65 170.13 0.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.601 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.55 -168.56 38.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.41 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.28 -55.37 8.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 111.083 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.08 -37.96 81.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -71.38 -30.08 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.15 30.27 14.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.401 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.436 HD23 ' HA3' ' A' ' 40' ' ' GLY . 32.2 tp -138.82 151.68 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.817 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.57 -178.09 4.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.545 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -101.87 95.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -101.42 -175.01 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mt -127.2 144.02 38.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.5 t -159.02 47.63 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.602 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 175.54 138.67 2.87 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.568 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 60' ' ' GLU . 21.5 t -142.83 105.53 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.073 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.9 110.74 3.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.43 122.99 11.15 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.458 2.105 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.92 32.26 30.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.8 p -104.8 -174.99 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -78.1 -31.51 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 64' ' ' LEU . . . -76.62 -33.13 58.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' HB2' HG12 ' A' ' 53' ' ' VAL . 1.6 tt0 -75.71 -34.47 60.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.15 -28.41 73.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.55 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.87 -65.63 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.03 55.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.619 HD13 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -110.64 121.47 45.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.68 -178.52 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 52' ' ' GLY . 8.1 m -95.79 129.02 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.13 -27.64 5.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.41 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.57 158.63 9.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -116.16 121.11 41.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 38' ' ' ILE . 30.4 mt -76.79 103.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.647 HD11 ' HB3' ' A' ' 101' ' ' LYS . 12.9 mt -67.99 -52.96 29.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.15 159.53 34.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -139.19 131.56 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 60.27 31.12 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.28 28.22 72.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -117.62 140.12 50.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -66.57 128.88 37.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.778 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 4.5 m-85 -122.71 30.86 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.5 mt -93.2 -52.82 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -104.99 31.45 4.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 tt -90.18 148.51 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.61 150.06 47.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.78 ' O ' HG23 ' A' ' 87' ' ' VAL . 2.1 t60 -62.51 -41.59 98.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.42 -41.58 80.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -65.47 -33.3 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -70.75 -30.98 67.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 83' ' ' HIS . 26.7 t -77.66 -36.46 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -40.89 27.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.778 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 29.0 tp -60.13 -40.19 88.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 86' ' ' ALA . 10.3 mt -72.05 -31.39 66.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -108.59 77.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.5 t -176.81 -45.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.58 165.57 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.7 mmt-85 -90.33 -65.95 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -79.95 103.37 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.925 HD13 HD11 ' A' ' 34' ' ' LEU . 35.1 mt -107.76 106.38 16.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.2 86.08 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.17 147.04 36.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.1 m -125.62 88.13 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.53 148.73 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.647 ' HB3' HD11 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -102.76 168.23 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.79 106.27 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.533 HG22 ' NZ ' ' A' ' 101' ' ' LYS . 21.5 t -124.34 82.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.67 -50.63 2.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.85 -78.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.68 147.25 89.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.8 -61.77 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.575 2.184 . . . . 0.0 112.259 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.28 121.8 0.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -156.52 -47.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -142.11 101.22 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.0 m -126.98 113.46 16.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 30.3 p -128.86 89.35 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.76 -64.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -76.22 148.95 37.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -101.23 30.64 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.807 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 m -94.43 -29.0 15.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' O ' ' CD1' ' A' ' 118' ' ' TRP . 2.9 tmmt? 61.52 23.44 13.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 117' ' ' LYS . 15.2 m95 -149.13 63.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.794 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 119' ' ' ILE . 0.9 OUTLIER -94.9 57.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 58.99 30.48 20.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.249 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.9 p -141.7 156.37 45.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.1 t -141.63 123.79 15.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.6 t -88.69 -59.42 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 148.97 145.83 4.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.521 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.45 116.33 4.65 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.533 2.155 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.2 t 59.65 85.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.9 t -158.29 -48.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.308 -1.273 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -104.69 113.87 27.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m 60.27 31.49 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.21 -179.68 42.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -105.8 152.24 23.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.57 31.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.13 90.15 2.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.532 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.78 -174.07 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.832 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.41 168.73 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.31 123.87 32.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -80.74 135.83 36.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -105.08 144.04 32.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.1 tp -143.79 -47.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -114.81 144.86 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.06 30.52 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.95 106.94 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.806 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -108.78 -31.41 7.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.52 -122.86 5.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.54 168.48 16.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.57 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -166.98 34.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.05 148.06 25.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -129.06 121.09 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HD3' HG21 ' A' ' 97' ' ' ILE . 27.5 mttt -93.85 143.62 26.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.23 84.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -69.99 128.54 36.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.712 HD21 ' HB3' ' A' ' 62' ' ' SER . 76.8 mt -126.9 135.48 51.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.68 111.31 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.49 HD22 ' CB ' ' A' ' 32' ' ' ARG . 83.5 mt -87.52 147.18 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.96 -91.89 0.64 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -133.09 99.37 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.338 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.51 71.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.377 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.49 ' CB ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -73.14 -177.3 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 110.929 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -147.47 158.37 43.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.44 HD11 HD13 ' A' ' 96' ' ' LEU . 81.4 mt -82.38 -50.72 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.97 50.45 2.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.618 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.0 mt -131.67 130.53 42.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -90.32 84.07 6.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.6 pt -70.58 161.82 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -144.82 169.42 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.62 168.14 15.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.74 169.48 38.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.88 84.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.83 -39.31 93.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -90.54 10.31 25.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.333 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.09 45.02 83.52 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.667 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 tp -143.74 161.37 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.18 -158.6 9.52 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mm -118.75 88.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -85.56 -175.03 5.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.409 HD11 ' CG1' ' A' ' 70' ' ' ILE . 32.1 mt -144.05 104.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.1 t -119.23 46.74 1.82 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.13 140.83 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.94 108.62 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.9 135.69 96.18 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.66 94.4 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.456 2.104 . . . . 0.0 112.382 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.12 48.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.65 -174.38 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.16 -34.37 61.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' A' ' 36' ' ' LEU . . . -71.21 -41.52 70.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.96 -31.42 72.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -83.43 -34.44 19.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.574 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.712 ' HB3' HD21 ' A' ' 26' ' ' LEU . 78.8 p -61.61 -70.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.08 43.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.578 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mt -106.17 150.26 26.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.806 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 -177.97 5.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.1 m -87.4 136.62 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.73 23.72 20.05 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.74 152.26 19.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.759 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -114.35 102.47 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.409 ' CG1' HD11 ' A' ' 50' ' ' ILE . 35.6 mt -65.95 131.28 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -96.1 -64.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.48 160.13 42.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 98' ' ' LEU . 20.0 t -142.94 124.29 11.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 60.9 30.8 19.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.42 29.56 57.95 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.14 140.15 53.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.5 t -70.74 117.71 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.743 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 4.0 m-85 -107.27 35.19 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.6 mt -108.94 -44.95 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -110.63 36.34 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.1 tt -103.72 153.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.53 149.57 38.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -65.84 -45.77 80.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.61 -35.33 80.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -65.47 -40.14 92.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.41 69.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.29 -42.88 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -50.73 53.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.743 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 33.5 tp -60.15 -31.36 70.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.1 mt -81.0 -32.16 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.11 70.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 t -171.51 -42.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m -80.59 176.75 9.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -96.0 -64.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.51 131.88 34.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 34' ' ' LEU . 27.6 mt -135.91 118.94 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.416 HG21 ' HD3' ' A' ' 23' ' ' LYS . 3.8 mt -112.49 80.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.489 ' HA ' HG22 ' A' ' 73' ' ' VAL . 5.7 mp -76.23 130.76 38.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -109.25 99.56 8.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.6 m -108.33 139.95 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -98.78 166.44 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.45 95.36 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.3 110.42 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 130.92 86.51 0.39 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -146.14 175.07 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.87 100.35 12.1 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.99 133.52 29.28 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.383 2.056 . . . . 0.0 112.277 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -103.92 116.5 32.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -173.39 -46.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -153.02 153.94 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 60.39 178.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.3 t -159.08 37.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.34 153.61 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -152.91 -60.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 59.99 75.06 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 t -112.97 52.97 0.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.86 82.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.89 166.48 23.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.3 mt -62.64 124.59 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.55 31.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.4 m -151.8 31.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -87.76 65.96 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -31.18 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.68 90.07 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.25 -28.2 27.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.575 2.183 . . . . 0.0 112.296 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.53 109.3 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.7 t -101.2 168.89 9.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.344 -1.254 . . . . 0.0 112.507 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.66 120.33 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.16 99.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.21 54.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -78.07 -36.36 48.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.05 158.33 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.6 -99.82 2.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 62.7 120.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -69.29 -52.54 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -125.62 25.62 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.9 t 56.23 172.07 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.5 p -106.23 83.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 pp -148.69 136.72 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.12 -65.11 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.06 105.65 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.31 103.02 3.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -152.63 -50.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.9 -70.94 0.51 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.445 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.82 74.36 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.565 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -101.25 164.53 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -100.46 127.65 46.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -115.23 123.32 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG2' HG22 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -106.95 120.3 41.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.58 112.11 38.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -93.93 134.75 35.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD21 ' OG ' ' A' ' 62' ' ' SER . 18.1 mt -135.58 135.4 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.492 HG22 ' CE1' ' A' ' 95' ' ' HIS . 21.5 t -108.69 96.37 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 96' ' ' LEU . 23.4 mt -68.23 135.99 52.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.9 -101.93 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.391 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -135.04 101.1 4.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.33 34.73 8.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -104.15 176.09 5.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -163.08 152.16 14.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.562 HD11 HD13 ' A' ' 96' ' ' LEU . 2.5 mt -62.36 -31.76 72.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.8 35.46 92.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.717 HD11 HD22 ' A' ' 64' ' ' LEU . 17.3 mt -104.15 155.65 18.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 m -113.58 77.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.0 pt -74.38 166.14 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -143.62 177.07 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.41 164.63 0.12 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -169.13 -174.6 37.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.628 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -71.15 -22.01 62.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 111.37 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.95 27.92 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.133 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -147.34 20.26 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.234 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.9 26.81 8.84 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.778 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.0 tp -135.28 160.69 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.958 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.25 -163.04 37.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -105.72 116.76 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.365 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -116.58 -177.33 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 mt -132.78 146.64 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -161.67 39.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.56 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 179.6 135.94 2.56 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.454 HG22 ' CD2' ' A' ' 36' ' ' LEU . 21.6 t -137.74 127.51 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 111.02 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 149.35 75.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.59 92.93 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.574 2.183 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.81 38.98 12.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 p -89.94 177.98 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.813 0.339 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.03 -34.19 74.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.01 -39.99 60.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.62 -31.91 72.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.8 -43.06 60.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.538 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.502 ' OG ' HD21 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.86 -57.06 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.334 . . . . 0.0 110.875 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.87 49.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.433 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.717 HD22 HD11 ' A' ' 36' ' ' LEU . 1.2 mp -104.79 147.44 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.01 -175.16 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 52' ' ' GLY . 15.5 m -91.36 137.95 20.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.71 -28.63 9.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 143.52 47.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -108.27 111.31 23.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.411 ' HA ' HG12 ' A' ' 100' ' ' VAL . 4.4 mt -69.71 112.92 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 64.8 mt -73.53 -65.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -141.52 161.0 38.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.414 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.3 t -142.56 128.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 60.56 35.76 20.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.3 27.99 72.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.57 126.91 44.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 110.81 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.24 116.93 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.414 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 1.8 m-85 -98.7 30.28 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -93.0 -31.08 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.628 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 7.3 t-20 -126.85 55.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.418 ' N ' ' HB2' ' A' ' 42' ' ' ALA . 1.1 tp -116.67 137.23 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.49 149.92 28.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.61 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.5 t60 -63.33 -38.87 92.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -72.74 -34.49 67.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.17 -38.44 60.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.48 93.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 83' ' ' HIS . 25.3 t -72.88 -49.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -46.57 89.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.74 -45.06 91.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.8 mt -59.98 -31.62 70.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -106.84 46.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.51 -59.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -65.8 166.04 11.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -91.25 -57.7 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.492 ' CE1' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -88.3 100.51 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 28' ' ' LEU . 12.3 mt -99.97 119.6 38.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.5 HG22 ' HG2' ' A' ' 23' ' ' LYS . 2.3 mt -115.96 82.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.77 143.25 46.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -122.73 80.03 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 70' ' ' ILE . 11.7 m -87.56 169.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 151.17 46.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.42 85.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.97 -30.5 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 173.58 44.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -100.33 170.04 8.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.3 mp -114.08 153.21 46.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.49 179.41 3.57 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.568 2.179 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.75 122.5 41.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -159.29 142.07 14.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -107.72 -39.08 5.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.661 HG22 HG12 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -116.07 93.03 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 35.84 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.661 HG12 HG22 ' A' ' 111' ' ' THR . 11.5 p -106.57 -29.4 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.217 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 61.55 113.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 60.9 163.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.11 -38.45 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -163.46 -65.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -176.71 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.9 tt -57.64 148.68 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.23 -41.92 60.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.064 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.4 t 60.61 110.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.25 153.43 33.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.51 101.03 2.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.26 151.25 27.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.99 -39.4 6.12 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.647 2.231 . . . . 0.0 112.275 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 t 69.14 -67.65 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.028 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.89 54.68 1.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.485 179.892 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -100.36 -37.08 9.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -148.07 -50.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.35 -139.09 14.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.57 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.4 p -104.7 -67.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -157.36 -50.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.67 -172.52 26.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -168.58 -42.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.717 0.294 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 93.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -131.48 -45.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m 63.11 122.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -59.8 -53.76 54.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.3 mt -80.29 112.86 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.24 35.6 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.88 150.34 37.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.553 HD23 ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -161.63 153.45 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -166.47 36.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.553 ' H ' HD23 ' A' ' 16' ' ' LEU . . . 145.4 -174.69 25.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.74 -139.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -102.27 58.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.41 109.96 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.522 ' O ' HG23 ' A' ' 99' ' ' THR . 16.4 ttpt -90.65 158.77 16.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -135.33 144.46 46.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.18 90.91 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -79.03 132.87 36.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.5 mt -136.75 142.68 43.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.82 90.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.682 HD11 ' CD1' ' A' ' 96' ' ' LEU . 60.5 mt -70.31 174.92 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.68 -98.71 2.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -125.09 92.42 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.38 28.19 68.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.474 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HB3' HD22 ' A' ' 28' ' ' LEU . 1.4 mmt180 -68.56 -171.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.807 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -146.22 162.01 39.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.643 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -87.42 -47.62 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.98 33.28 5.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.392 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.771 HD11 HD13 ' A' ' 64' ' ' LEU . 55.2 mt -117.65 124.71 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.899 0.381 . . . . 0.0 110.822 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -87.01 96.88 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 pt -89.54 161.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -142.73 165.28 27.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.27 154.6 6.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.71 -177.63 47.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.63 -30.22 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.72 0.295 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -32.64 45.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -93.46 13.42 21.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.231 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.9 26.63 26.98 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.717 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.3 tp -136.31 153.17 51.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.53 -170.51 7.53 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.9 mm -101.11 106.63 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.707 0.289 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -110.71 -175.8 2.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mt -125.66 152.34 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 t -167.38 38.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.98 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.712 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -172.87 146.45 9.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.572 HG23 HG13 ' A' ' 66' ' ' VAL . 21.4 t -147.72 108.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.09 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.8 142.3 94.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.33 109.5 2.93 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.516 2.144 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.05 38.15 9.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.538 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -104.68 175.27 5.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.766 0.317 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -69.85 -31.56 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.09 -49.3 24.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.21 -37.27 79.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.0 -31.46 72.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -69.18 -55.78 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.32 54.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.771 HD13 HD11 ' A' ' 36' ' ' LEU . 9.5 mt -117.91 125.74 51.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -98.47 -176.94 3.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.712 HG12 ' N ' ' A' ' 52' ' ' GLY . 4.4 m -99.55 120.97 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.05 -25.26 4.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.08 166.2 1.64 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.5 ' N ' HG21 ' A' ' 103' ' ' VAL . 25.4 tt0 -121.74 116.53 24.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.7 mt -76.15 109.29 9.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.45 -62.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.06 164.07 31.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.413 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 21.5 t -144.84 128.69 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 60.36 30.2 19.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.72 28.16 55.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -129.81 131.48 46.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.9 m -68.55 116.49 9.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.423 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.8 m-85 -97.62 39.12 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 mt -102.71 -31.3 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -121.86 36.56 4.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.8 tt -102.59 156.77 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mp -78.24 151.88 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.48 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.8 t60 -60.35 -47.4 86.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.68 -51.91 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -60.4 -31.64 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' O ' HD12 ' A' ' 90' ' ' LEU . . . -65.81 -46.42 78.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 83' ' ' HIS . 21.5 t -72.2 -42.11 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -67.07 -48.32 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.423 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 33.8 tp -60.5 -37.77 82.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 86' ' ' ALA . 45.1 mt -71.95 -31.09 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.38 38.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -136.45 -63.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.92 141.89 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -60.79 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -80.38 100.07 8.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.682 ' CD1' HD11 ' A' ' 28' ' ' LEU . 80.1 mt -97.36 123.13 41.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.4 mt -125.73 75.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 73' ' ' VAL . 7.0 mp -69.62 143.49 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 22' ' ' LYS . 2.5 m -120.82 98.69 6.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.1 m -107.79 162.03 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 103' ' ' VAL . 36.5 pttt -124.47 172.37 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -68.59 101.72 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 103' ' ' VAL . 14.4 t -108.31 34.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -172.84 70.75 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.541 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -82.75 96.32 8.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.785 0.326 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.84 120.34 5.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.47 -176.27 1.9 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.451 2.101 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -73.19 165.62 24.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -136.5 170.32 16.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -155.78 31.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.9 p -142.21 51.5 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.2 p -98.24 35.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 113' ' ' VAL . 10.8 p -156.1 112.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.01 171.56 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -134.38 122.8 23.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.61 -47.33 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.58 30.71 14.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -127.76 -51.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.4 pp -100.99 -178.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -144.81 139.22 27.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.68 102.8 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 m -115.23 -49.06 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.72 -48.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 153.79 162.99 11.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.2 172.09 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.618 2.212 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.54 81.13 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -31.7 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.56 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -157.29 114.75 3.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.368 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -152.67 158.93 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.91 52.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.36 45.91 0.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.959 0.409 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -142.23 -49.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.43 155.63 16.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -119.77 -42.17 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -74.0 134.64 43.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.87 131.49 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.61 85.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 p -153.71 32.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.26 114.43 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.96 -178.52 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.5 112.21 11.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.08 -65.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -135.92 112.7 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.9 139.97 14.83 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.93 -124.05 0.72 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.34 49.28 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG2' HD12 ' A' ' 71' ' ' LEU . 1.2 mt-10 -80.02 145.47 32.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -123.14 122.57 38.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 145.0 25.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.59 97.02 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -88.47 124.95 34.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.8 mt -129.41 130.53 46.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.03 116.3 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.763 HD22 ' HB3' ' A' ' 32' ' ' ARG . 37.9 mt -95.77 158.88 15.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.69 -68.02 1.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -162.84 -47.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.93 26.95 8.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.417 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.763 ' HB3' HD22 ' A' ' 28' ' ' LEU . 2.0 mmp_? -82.34 -176.56 6.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.97 168.05 28.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 90' ' ' LEU . 15.3 mt -84.04 -41.53 17.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.97 37.46 33.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.586 HD11 HD13 ' A' ' 64' ' ' LEU . 32.6 mt -120.4 128.75 53.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -93.35 82.62 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.8 pt -72.09 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.31 167.51 25.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.63 160.46 2.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.78 -173.91 46.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.38 -30.61 68.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.044 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.33 -27.52 61.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -103.81 11.68 35.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.389 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.73 33.57 42.48 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.719 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.0 tp -137.13 153.76 50.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.65 -159.23 0.25 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mm -117.78 108.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 58.9 m-85 -109.54 -175.31 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 68' ' ' ASP . 30.4 mt -127.47 141.15 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.561 ' HA ' HG12 ' A' ' 66' ' ' VAL . 7.2 t -152.04 43.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.577 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -175.11 154.08 17.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.597 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -151.37 127.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.03 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.93 111.18 48.56 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 91.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.47 2.113 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.64 42.28 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -122.42 172.43 8.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.57 -31.61 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.58 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.16 -31.34 64.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.93 -34.04 22.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.2 p -60.36 -60.89 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.57 54.33 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 36' ' ' LEU . 37.0 mt -124.11 139.61 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -132.31 -178.18 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.577 HG12 ' N ' ' A' ' 52' ' ' GLY . 12.2 m -78.98 117.16 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.35 -26.61 3.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.545 ' HA ' HG21 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -58.67 148.06 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.89 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.423 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.2 tm0? -116.35 117.19 29.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.06 123.9 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.537 HD12 ' HG2' ' A' ' 21' ' ' GLU . 44.6 mt -89.23 -42.99 11.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.78 154.67 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.694 HG22 ' HA ' ' A' ' 98' ' ' LEU . 19.9 t -138.44 129.53 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 60.76 30.92 20.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.33 28.45 67.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -120.77 138.29 54.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 129.5 40.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.64 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 4.1 m-85 -116.71 33.36 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -100.13 -36.31 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -114.67 31.29 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 tt -95.0 133.91 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.16 161.11 9.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.769 ' O ' HG23 ' A' ' 87' ' ' VAL . 86.5 t60 -72.37 -31.48 65.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.53 -44.88 33.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.6 -37.41 84.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.08 80.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 83' ' ' HIS . 30.7 t -65.95 -31.51 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -37.17 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.64 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 19.8 tp -65.65 -53.99 33.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 34' ' ' LEU . 78.2 mt -59.84 -34.2 72.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -101.85 57.38 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 t -152.36 -64.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t -61.84 149.71 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -31.38 53.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.515 ' O ' HD23 ' A' ' 96' ' ' LEU . 2.0 t-160 -109.75 125.22 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 95' ' ' HIS . 20.8 mt -128.75 124.2 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.06 72.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.035 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.694 ' HA ' HG22 ' A' ' 73' ' ' VAL . 4.7 mp -62.89 147.46 50.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -123.37 80.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.9 m -94.8 154.27 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -100.81 170.11 8.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.61 94.36 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.545 HG21 ' HA ' ' A' ' 68' ' ' ASP . 21.4 t -95.58 -32.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.39 65.54 0.77 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.561 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.2 -52.68 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.43 77.75 0.61 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.85 -29.47 18.63 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.342 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.11 145.41 46.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.956 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -150.0 105.62 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -72.29 -56.71 5.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.0 m -70.34 135.58 48.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 28.1 m -100.36 -52.43 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.54 112.44 29.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.7 -38.92 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 60.76 47.26 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.7 p -139.89 40.36 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -164.49 -59.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -62.08 -40.18 94.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 119' ' ' ILE . 7.2 tp -124.0 124.73 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -92.21 103.69 16.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.075 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.48 125.21 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.12 152.34 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.1 m -128.89 158.55 38.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 123.84 164.28 11.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.489 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.94 -45.27 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.565 2.176 . . . . 0.0 112.296 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.2 p -117.76 97.59 5.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 t -114.55 -176.68 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.559 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t 60.73 32.8 20.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.45 -40.66 8.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.57 128.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.406 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 p -119.84 86.34 2.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -116.98 103.96 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.6 -94.02 0.24 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.08 109.06 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.11 30.55 3.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.94 152.66 30.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.86 160.42 20.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -133.65 167.98 19.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -131.53 84.92 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.25 94.4 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tp -132.57 97.62 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -145.43 -48.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -155.94 -54.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.79 -170.8 38.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.529 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.96 157.97 53.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.66 97.28 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.27 115.31 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -98.84 118.0 34.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -93.72 145.98 24.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.508 HG21 HD21 ' A' ' 64' ' ' LEU . 21.5 t -136.84 83.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -75.21 128.24 35.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.4 mt -131.27 141.54 50.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.92 113.62 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -97.02 166.81 11.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.11 -86.34 1.91 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.459 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.5 32.88 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.66 58.33 1.53 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -77.03 -4.8 46.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.591 0.234 . . . . 0.0 111.418 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.19 165.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.952 HD21 HD12 ' A' ' 96' ' ' LEU . 55.8 mt -94.63 -44.91 7.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.74 41.38 6.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD21 ' HB1' ' A' ' 59' ' ' ALA . 77.8 mt -118.26 133.34 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -93.65 78.6 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.74 155.12 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.067 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.64 153.18 42.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.45 152.3 20.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.25 -168.81 41.48 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HB3' HD23 ' A' ' 82' ' ' LEU . . . -61.64 -30.61 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.081 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.01 -33.84 76.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -109.8 20.07 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.88 25.27 15.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.676 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 tp -121.29 161.44 21.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.95 -146.77 0.4 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.495 HG22 HD12 ' A' ' 70' ' ' ILE . 25.4 mm -127.15 107.59 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.894 0.378 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.443 ' CE2' ' HG3' ' A' ' 69' ' ' GLN . 65.7 m-85 -114.98 176.34 5.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 68' ' ' ASP . 31.6 mt -120.62 138.82 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.8 t -143.77 38.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.568 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 179.24 138.8 3.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.07 114.47 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.02 135.8 95.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.75 117.97 4.92 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.469 2.113 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.87 42.59 16.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 p -114.25 175.79 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -67.6 -39.41 84.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.601 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -74.05 -31.34 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -31.19 68.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.04 -39.08 92.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -41.56 99.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.1 36.76 0.85 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.601 HD12 ' HB1' ' A' ' 59' ' ' ALA . 92.7 mt -86.72 128.06 35.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -115.48 174.47 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 52' ' ' GLY . 27.4 m -78.13 135.86 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.099 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.6 -24.92 8.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.463 ' HB2' HD12 ' A' ' 50' ' ' ILE . 9.3 m-20 -57.22 152.36 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 111.074 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.443 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.1 tm0? -116.93 113.4 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.495 HD12 HG22 ' A' ' 48' ' ' ILE . 39.7 mt -73.06 103.22 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.3 mt -73.66 -40.75 63.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' OE2' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -164.62 163.35 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.57 HG22 ' HG ' ' A' ' 98' ' ' LEU . 21.5 t -145.36 124.09 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 60.35 31.14 20.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.81 32.53 49.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -126.47 132.18 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -67.64 117.74 9.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -102.59 43.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.53 -49.91 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.63 32.17 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.9 tt -87.96 153.01 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 42' ' ' ALA . 66.8 mt -75.12 149.77 38.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -62.94 -36.0 81.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -73.93 -35.16 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -68.94 -33.28 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.88 -45.86 84.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.9 t -71.84 -40.38 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -31.45 67.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.1 tp -80.77 -33.53 34.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.552 HD22 ' CD1' ' A' ' 34' ' ' LEU . 21.5 mt -75.92 -32.72 59.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -109.17 70.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.5 t -171.59 -51.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m -72.4 140.36 48.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -72.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -79.63 123.96 28.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.952 HD12 HD21 ' A' ' 34' ' ' LEU . 30.2 mt -123.13 126.7 47.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.83 96.73 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HG ' HG22 ' A' ' 73' ' ' VAL . 6.6 mp -85.71 164.24 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.486 HG21 ' OE2' ' A' ' 72' ' ' GLU . 37.5 m -138.47 82.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.7 m -93.56 163.45 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.524 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.3 pttt -116.95 154.92 30.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -64.04 103.61 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 101' ' ' LYS . 26.9 t -110.5 -64.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -89.24 68.79 2.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.582 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -88.09 -64.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.2 mt -82.25 160.37 62.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.04 165.4 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.553 2.169 . . . . 0.0 112.302 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -100.33 -67.43 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 55.35 -169.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.16 155.97 24.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.7 m 60.83 100.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -68.11 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.8 m -141.46 179.61 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -127.54 -50.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.32 32.6 22.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 116' ' ' THR . 13.0 m -99.71 36.85 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -133.59 99.28 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -87.9 127.55 35.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.6 pp -70.6 -179.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.199 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -169.72 -44.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.072 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.1 m -150.7 -49.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.59 -173.79 3.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m -169.61 155.08 5.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -93.69 -55.56 1.52 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.2 110.9 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.674 2.249 . . . . 0.0 112.254 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.38 -69.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.59 154.28 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.555 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.41 31.63 20.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.17 114.22 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.94 153.93 20.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 m -131.98 92.73 3.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.785 0.326 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -65.83 166.3 11.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.47 -85.61 0.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.404 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -108.36 122.17 46.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.72 36.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 ttp85 -66.6 -31.72 72.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -166.08 87.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -138.81 -61.13 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.568 HD13 ' H ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -129.14 150.65 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.568 ' H ' HD13 ' A' ' 13' ' ' LEU . 93.6 m-70 60.7 107.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -104.62 37.36 2.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.49 31.6 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.764 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -99.83 -57.11 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.97 -159.77 21.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.42 130.14 11.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -114.4 177.85 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -94.01 164.73 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -145.57 110.54 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.404 ' NZ ' HG21 ' A' ' 97' ' ' ILE . 3.6 tttm -89.47 130.31 35.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.57 95.75 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -81.87 141.71 33.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.667 HD12 ' CD2' ' A' ' 34' ' ' LEU . 60.3 mt -130.18 119.46 22.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.655 HG22 ' CE1' ' A' ' 95' ' ' HIS . 27.8 t -91.54 100.03 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.647 HD11 HD11 ' A' ' 96' ' ' LEU . 73.1 mt -83.94 138.49 33.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.84 -69.2 1.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -152.7 -65.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.67 33.71 6.02 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HB3' HD22 ' A' ' 28' ' ' LEU . 7.0 mmt85 -92.07 171.13 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 p -154.29 173.41 16.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.667 ' CD2' HD12 ' A' ' 26' ' ' LEU . 15.7 mt -87.69 -33.14 18.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.83 32.53 82.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD22 HG21 ' A' ' 50' ' ' ILE . 15.4 mt -107.22 152.06 24.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 m -107.77 105.15 14.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.412 HD11 ' CG2' ' A' ' 87' ' ' VAL . 12.8 pt -88.32 173.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.13 172.61 13.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.642 ' CA ' HD23 ' A' ' 46' ' ' LEU . . . 58.99 166.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -164.98 -171.18 30.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.563 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.28 -50.14 9.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -57.48 -33.3 67.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -84.74 -25.68 28.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.18 27.47 25.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.323 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.642 HD23 ' CA ' ' A' ' 40' ' ' GLY . 32.0 tp -122.27 153.65 38.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.65 -166.31 4.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mm -115.38 81.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 69' ' ' GLN . 47.7 m-85 -84.43 -174.93 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.455 HG21 HD22 ' A' ' 36' ' ' LEU . 21.6 mt -138.59 128.33 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 t -137.19 31.69 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.472 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -165.79 141.52 7.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.634 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.47 116.71 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.06 145.61 84.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.17 1.53 9.09 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.644 2.229 . . . . 0.0 112.848 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.57 41.06 0.8 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 p -107.04 -178.01 3.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -83.58 -30.4 27.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.42 80.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -40.3 96.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.46 -28.43 59.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.573 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.13 -59.34 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.98 49.9 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mt -120.6 138.68 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 -177.63 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 52' ' ' GLY . 12.6 m -77.69 157.85 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.34 -28.26 13.86 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.542 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.19 141.53 58.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.3 tt0 -110.84 116.62 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.67 114.05 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.55 -44.15 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -160.69 158.69 29.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.567 HG12 ' ND2' ' A' ' 74' ' ' ASN . 21.5 t -145.16 129.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.567 ' ND2' HG12 ' A' ' 73' ' ' VAL . 67.8 m-80 60.5 30.46 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.3 28.23 64.35 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.0 140.01 53.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.309 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 t -72.5 115.73 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.422 ' CZ ' ' HB ' ' A' ' 73' ' ' VAL . 4.0 m-85 -100.29 38.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 68.9 mt -106.28 -33.8 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -118.43 34.08 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.5 tt -103.66 143.12 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.47 163.59 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.467 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.2 t60 -71.03 -49.04 49.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -64.96 -38.01 89.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -62.62 -42.63 99.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.36 -33.56 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 83' ' ' HIS . 21.7 t -80.95 -40.38 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -39.14 68.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.4 tp -71.27 -31.42 67.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.542 ' HB3' HD12 ' A' ' 34' ' ' LEU . 14.8 mt -79.55 -34.87 40.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.26 72.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.67 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.86 155.67 37.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -66.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.655 ' CE1' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -90.72 142.3 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 34' ' ' LEU . 7.2 mt -137.17 110.53 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.404 HG21 ' NZ ' ' A' ' 23' ' ' LYS . 1.9 mp -111.32 92.94 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.38 150.05 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.8 m -127.54 79.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.3 m -90.58 152.58 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -106.58 158.95 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.8 117.03 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 101' ' ' LYS . 21.5 t -125.57 105.08 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 72.76 52.85 8.92 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.566 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -43.65 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.511 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -120.64 134.67 24.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.33 139.72 13.26 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.513 2.142 . . . . 0.0 112.377 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.415 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 20.9 p-80 -80.98 -15.95 54.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 108' ' ' HIS . . . 67.73 170.63 0.27 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.36 . . . . 0.0 111.188 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.98 -177.14 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 m 65.95 126.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.1 t -127.56 127.72 44.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.23 -41.69 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.49 88.24 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -139.73 -48.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.5 p -126.01 34.57 4.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.97 81.24 1.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -126.81 -54.23 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.4 pt -126.69 109.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 59.97 -176.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.93 169.47 8.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 59.2 m -151.05 -178.06 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.69 33.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.3 168.91 9.23 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.25 162.86 1.85 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.643 2.229 . . . . 0.0 112.286 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.4 t -74.81 103.45 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.65 140.0 31.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.323 -1.265 . . . . 0.0 112.465 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.67 147.48 30.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 p -95.72 -35.34 11.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.79 -60.23 4.64 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 p -65.17 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.28 126.5 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.85 -61.51 1.0 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.553 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -163.72 126.13 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -90.4 83.74 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -82.4 105.81 13.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -130.8 146.5 52.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -136.9 -66.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.24 138.3 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -92.57 161.87 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.52 120.23 32.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.83 179.22 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.28 149.59 49.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.71 -154.83 8.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.8 -173.94 35.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.98 128.18 34.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HG2' HD12 ' A' ' 71' ' ' LEU . 0.8 OUTLIER -95.58 143.75 26.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -95.57 110.43 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 134.94 42.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.35 99.95 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.44 114.8 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD21 ' OG ' ' A' ' 62' ' ' SER . 96.8 mt -114.62 109.14 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.86 103.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.794 HD11 HD11 ' A' ' 96' ' ' LEU . 17.0 mt -83.72 -174.69 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.81 -82.08 0.5 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.388 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.24 30.76 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.99 56.74 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.412 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.516 ' HB2' HD22 ' A' ' 28' ' ' LEU . 16.2 mtm-85 -77.07 -5.87 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.589 0.233 . . . . 0.0 111.376 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m 58.53 164.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.618 HD11 HD13 ' A' ' 96' ' ' LEU . 5.3 mt -93.93 -57.93 2.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.94 30.58 6.66 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.814 HD11 HD13 ' A' ' 64' ' ' LEU . 64.7 mt -106.52 155.91 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -117.55 84.82 2.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.423 HG22 HG12 ' A' ' 50' ' ' ILE . 3.6 pt -83.12 144.37 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.196 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.16 146.26 46.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.23 145.03 7.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.49 -154.21 15.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.426 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.95 -31.15 70.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.58 -31.67 72.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -110.76 16.53 21.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.321 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.87 25.42 15.99 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.716 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.0 tp -124.89 157.37 36.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.39 173.69 19.62 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 mm -90.05 122.31 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -126.81 -176.35 3.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' ' 68' ' ' ASP . 27.1 mt -130.21 149.32 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 50' ' ' ILE . 37.5 p -157.75 35.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.39 150.8 10.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.629 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.98 135.52 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.18 148.52 98.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.84 62.31 3.1 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.597 2.198 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.65 98.65 2.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.69 -171.27 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.56 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.46 -49.47 14.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.26 -36.65 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.6 -30.01 60.69 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.695 ' OG ' HD21 ' A' ' 26' ' ' LEU . 1.3 m -68.11 -68.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.84 59.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.814 HD13 HD11 ' A' ' 36' ' ' LEU . 1.6 mt -108.32 171.73 7.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.14 177.86 7.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.5 m -98.78 31.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.76 28.62 0.6 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.439 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.545 ' HB2' HD12 ' A' ' 50' ' ' ILE . 80.0 m-20 -96.41 162.54 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -122.24 122.8 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.9 mt -80.83 115.65 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.437 HD12 ' HG2' ' A' ' 21' ' ' GLU . 77.8 mt -84.41 -38.08 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.12 162.16 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.97 118.87 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 60.59 31.15 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.56 28.72 46.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.11 140.56 50.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.54 111.46 12.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.735 ' CD2' HG21 ' A' ' 81' ' ' ILE . 5.2 m-85 -103.93 32.94 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.1 -31.63 27.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -139.61 41.95 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.735 HG21 ' CD2' ' A' ' 78' ' ' PHE . 1.2 tt -88.39 142.75 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.18 152.99 31.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -60.03 -52.2 66.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.68 -49.99 75.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.2 -31.03 70.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.93 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.071 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 t -68.02 -45.67 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.82 -48.98 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.694 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 21.3 tp -60.79 -33.66 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.497 HD22 HD13 ' A' ' 34' ' ' LEU . 13.2 mt -77.06 -35.16 56.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -106.2 70.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -171.33 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -79.13 148.6 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -71.46 -61.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -76.43 131.85 39.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.794 HD11 HD11 ' A' ' 28' ' ' LEU . 20.2 mt -135.03 108.19 7.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.2 82.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.62 147.44 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 m -121.22 91.52 3.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.33 158.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 103' ' ' VAL . 22.7 pttt -121.7 165.24 16.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -63.94 97.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.741 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 103' ' ' VAL . 17.6 t -98.18 31.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.32 -42.75 1.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.568 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 69.41 -63.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.742 0.306 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 tp 65.43 80.93 0.22 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.93 -42.95 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.689 2.259 . . . . 0.0 112.245 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -167.15 -58.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.71 171.98 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.8 ttt85 -64.84 -34.34 78.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.5 t -76.02 162.5 28.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 78.3 p -100.5 31.72 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 113' ' ' VAL . 12.6 p -152.5 114.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -97.79 -31.51 12.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.84 124.75 25.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.7 p -139.61 60.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm 60.02 76.52 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -111.31 -31.68 6.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.53 137.42 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -147.45 123.65 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t 60.52 88.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.92 106.34 16.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.5 p -82.49 -177.17 6.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -161.97 -67.67 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.03 114.59 3.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.541 2.16 . . . . 0.0 112.296 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 t -115.11 96.98 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -96.46 100.82 12.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.444 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -81.41 127.76 33.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.804 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 p -111.92 134.46 53.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.29 30.71 0.37 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -144.17 32.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 t -75.02 155.77 36.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.46 94.12 1.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.462 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.35 124.24 46.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.48 -45.68 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -129.96 135.83 48.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.4 p -75.08 -76.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -113.8 132.63 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.644 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.1 pt? -129.6 -41.05 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.38 171.5 9.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mt -149.38 127.48 12.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.58 HD13 ' H ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -80.05 155.84 27.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.58 ' H ' HD13 ' A' ' 16' ' ' LEU . 47.9 mm-40 63.3 111.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.87 153.77 0.45 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.97 -138.25 10.02 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -133.38 89.9 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.56 128.08 53.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -107.64 114.77 28.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.491 ' HG2' HG22 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -99.35 122.49 42.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -112.34 90.82 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -77.49 120.4 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 62' ' ' SER . 88.1 mt -117.11 117.25 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.05 93.44 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.029 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD22 ' C ' ' A' ' 32' ' ' ARG . 77.6 mt -58.04 132.94 54.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.16 92.48 1.65 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.693 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.77 76.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 111.166 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 54.03 37.24 57.99 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.867 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.505 ' C ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -69.62 -175.93 0.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 0.0 110.782 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -122.39 164.24 18.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.648 HD21 HD12 ' A' ' 96' ' ' LEU . 78.6 mt -91.74 -41.84 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.6 43.35 29.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.495 HD22 HG21 ' A' ' 50' ' ' ILE . 15.7 mt -117.7 133.64 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 m -94.34 78.66 3.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.2 pt -77.06 159.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -138.68 166.97 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.8 158.58 25.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.553 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.08 -177.71 47.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.28 -32.28 70.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -46.11 75.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -85.93 4.23 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.376 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.25 44.85 94.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.563 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.5 tp -139.24 155.77 47.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.86 -163.0 4.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.62 HG22 HD12 ' A' ' 70' ' ' ILE . 25.9 mm -114.07 105.95 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -112.07 179.17 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.495 HG21 HD22 ' A' ' 36' ' ' LEU . 4.7 mt -127.32 132.42 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -143.26 41.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.71 149.39 11.94 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.718 HG12 ' OE1' ' A' ' 60' ' ' GLU . 21.6 t -152.27 96.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.35 111.15 4.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.05 108.13 0.26 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.45 2.1 . . . . 0.0 112.299 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.7 30.11 4.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.2 p -107.59 165.23 11.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.14 -32.0 70.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.37 -35.74 54.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.718 ' OE1' HG12 ' A' ' 53' ' ' VAL . 2.0 tp10 -61.72 -34.91 76.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.87 57.11 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.627 ' HB2' HD21 ' A' ' 26' ' ' LEU . 3.2 t -62.62 -44.77 95.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.87 35.73 0.88 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.1 mt -90.04 127.63 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.5 175.35 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.6 m -86.0 172.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.06 14.66 80.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.736 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.474 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -93.6 173.38 7.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.79 111.52 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.62 HD12 HG22 ' A' ' 48' ' ' ILE . 27.9 mt -74.75 106.56 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 101' ' ' LYS . 14.4 mt -73.93 -65.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -144.42 153.86 42.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.516 HG22 ' HG ' ' A' ' 98' ' ' LEU . 21.4 t -131.62 127.28 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 60.33 31.23 20.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.82 30.13 64.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -127.65 141.42 51.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 m -63.17 128.39 35.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.428 ' CE1' ' HB ' ' A' ' 73' ' ' VAL . 0.8 OUTLIER -122.3 30.44 6.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.5 mt -95.08 -55.98 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -98.3 38.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.989 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.3 tt -96.77 150.77 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.66 154.85 41.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -66.35 -36.4 82.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -73.96 -34.93 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.73 -34.07 69.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.8 -31.75 72.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.63 -43.32 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -68.6 -31.25 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.414 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 25.5 tp -80.08 -31.37 39.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' A' ' 34' ' ' LEU . 14.9 mt -81.65 -33.62 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.37 68.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.03 -62.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 m -69.91 132.16 45.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -74.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -69.96 124.24 23.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.648 HD12 HD21 ' A' ' 34' ' ' LEU . 65.5 mt -127.32 114.58 17.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.491 HG22 ' HG2' ' A' ' 23' ' ' LYS . 16.0 mt -110.32 91.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 73' ' ' VAL . 5.3 mp -83.61 155.52 23.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.66 95.32 3.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.44 143.72 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.443 ' HB3' HD11 ' A' ' 71' ' ' LEU . 19.5 pttt -106.63 164.1 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.36 115.97 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 68' ' ' ASP . 21.8 t -104.56 -32.48 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.05 115.69 4.73 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 -58.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -89.48 145.24 33.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.81 103.5 1.66 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.518 2.146 . . . . 0.0 112.276 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -170.47 173.39 5.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -146.56 30.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.86 69.06 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.8 p -133.71 123.5 25.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.18 -64.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.08 -47.72 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -113.42 -176.76 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.86 35.25 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.3 m -111.99 -37.25 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -70.44 134.0 47.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -139.03 109.94 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.5 pt -61.6 146.27 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -105.01 -43.74 4.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.8 m -148.94 89.01 1.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.0 m -116.09 -48.5 2.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.8 m -132.49 116.91 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.03 163.38 12.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.428 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.08 62.76 2.55 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.494 2.13 . . . . 0.0 112.328 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.4 m -90.99 -31.66 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.7 t -83.45 -31.2 26.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.519 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -150.67 168.57 23.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 p -115.46 -39.47 3.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.31 -171.89 28.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -149.55 96.22 2.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.851 0.358 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.84 129.86 34.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.68 72.56 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.563 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.13 -75.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.835 0.35 . . . . 0.0 111.0 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? 61.53 155.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.61 165.85 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -58.8 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.41 36.44 20.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.476 HD23 ' C ' ' A' ' 13' ' ' LEU . 9.9 tt -166.37 101.99 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -117.78 153.84 32.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.56 159.43 26.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.71 131.43 55.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -146.0 153.14 40.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.89 95.27 1.88 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.534 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.82 -132.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.28 127.92 33.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.771 0.32 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -108.3 128.99 55.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -112.37 122.4 47.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.41 148.04 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.7 88.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -80.67 143.8 32.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 62' ' ' SER . 65.8 mt -146.28 132.64 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.44 92.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 93' ' ' SER . 85.1 mt -63.53 155.54 29.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.6 -95.25 1.84 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.577 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -130.12 108.48 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.69 27.41 73.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.623 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.604 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.9 mmt85 -79.83 177.35 8.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.745 0.307 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m -150.2 167.35 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.761 HD11 HD13 ' A' ' 96' ' ' LEU . 76.9 mt -86.34 -35.54 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.72 33.01 58.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -106.3 149.97 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -113.53 84.62 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 pt -84.67 163.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.69 179.36 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.682 ' CA ' HD23 ' A' ' 46' ' ' LEU . . . 69.61 174.68 12.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.12 179.55 48.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.393 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.73 66.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 111.075 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -34.23 73.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -97.18 13.58 28.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.293 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 53.56 31.57 44.67 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.709 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.682 HD23 ' CA ' ' A' ' 40' ' ' GLY . 29.0 tp -124.2 134.74 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.63 -166.83 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.521 HG22 HD12 ' A' ' 70' ' ' ILE . 28.3 mm -109.1 101.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.435 ' CD2' ' HG2' ' A' ' 69' ' ' GLN . 83.7 m-85 -101.35 -174.99 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.0 mt -134.41 135.4 54.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.3 p -147.47 36.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.99 137.77 3.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.582 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.13 119.7 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.41 137.05 55.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.67 113.4 3.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.552 2.168 . . . . 0.0 112.364 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.15 -27.47 8.55 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -58.92 170.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.0 -44.37 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.41 70.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -32.75 63.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.59 -28.43 43.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.581 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -64.66 -55.5 19.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.59 56.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mt -107.32 171.79 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.82 -179.71 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 66' ' ' VAL . 5.9 m -98.62 102.11 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.82 -20.51 2.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.619 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -55.81 151.45 11.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.871 0.367 . . . . 0.0 111.058 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.435 ' HG2' ' CD2' ' A' ' 49' ' ' TYR . 14.0 tm0? -112.85 107.01 15.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 48' ' ' ILE . 4.8 mt -64.72 109.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.428 HD21 ' HD2' ' A' ' 101' ' ' LYS . 27.9 mt -74.22 -48.96 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.28 161.73 37.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.431 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 20.9 t -140.96 127.12 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 60.39 31.25 20.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.67 28.25 63.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 ttt-85 -125.08 137.32 54.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.325 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.73 123.66 19.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' CE1' HD23 ' A' ' 89' ' ' LEU . 1.3 m-85 -110.89 31.01 6.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 mt -100.35 -41.57 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -111.89 32.97 5.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 tt -94.4 145.46 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.99 154.8 32.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -64.1 -54.22 37.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -64.28 -34.41 78.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.15 -34.93 79.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.16 83.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.22 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -35.01 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.785 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 78' ' ' PHE . 56.3 tp -76.09 -41.8 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -74.31 -31.87 62.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -108.31 73.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.5 t -175.94 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -64.6 152.31 42.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -32.9 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.05 124.1 49.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 34' ' ' LEU . 9.6 mt -130.69 118.03 20.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.13 72.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.07 132.03 47.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 m -113.29 92.28 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.3 m -91.92 163.97 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.428 ' HD2' HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -114.34 154.11 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.84 108.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.3 t -101.53 -34.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.4 114.45 4.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.74 178.49 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.8 mt -135.55 119.3 12.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.53 -20.25 41.57 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.506 2.137 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 64.69 -172.51 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.64 120.98 26.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.03 -44.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.56 173.71 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.2 p -89.61 163.96 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.1 p -97.78 142.98 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.66 175.75 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.92 78.58 8.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.7 p -102.79 40.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -98.62 136.75 38.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.413 ' HA ' ' CE3' ' A' ' 118' ' ' TRP . 0.0 OUTLIER 59.63 92.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.2 pt -118.03 -39.99 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.84 161.15 37.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.6 p -117.32 178.59 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.994 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.34 156.61 45.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 p -74.88 -31.66 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.5 77.09 0.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.89 -179.97 3.35 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.586 2.191 . . . . 0.0 112.267 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.5 t -77.53 102.04 6.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.1 m -87.55 -57.55 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.55 91.34 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -110.38 -35.82 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.82 -86.33 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 t -142.42 162.52 35.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.98 156.85 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.72 -139.56 2.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -151.74 -57.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.14 120.63 9.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.563 HH12 HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -168.71 34.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -113.6 59.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.25 31.31 5.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD11 HH12 ' A' ' 10' ' ' ARG . 4.4 mp -108.83 88.96 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -154.62 170.64 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mt -124.2 108.82 12.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tp -106.28 80.44 1.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -146.88 178.85 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 149.13 -54.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.6 28.95 11.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.75 119.39 26.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -83.51 136.78 34.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -95.72 132.38 40.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -112.99 137.54 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 t -127.75 92.06 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -80.75 127.12 32.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' CD2' ' A' ' 34' ' ' LEU . 18.8 mt -129.98 130.48 45.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.55 106.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.8 mt -91.19 127.88 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.09 -88.4 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.569 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -101.33 39.96 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.12 59.07 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -76.81 -5.17 47.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.629 0.252 . . . . 0.0 111.441 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m 59.0 169.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.823 0.344 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.615 ' CD2' HD12 ' A' ' 26' ' ' LEU . 12.1 mt -89.65 -62.41 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.53 40.6 2.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD21 ' HB1' ' A' ' 59' ' ' ALA . 1.2 mt -124.65 148.0 48.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 m -104.25 90.89 3.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.0 pt -84.46 137.11 21.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 ptt85 -121.35 158.96 27.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.58 148.27 8.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -164.75 -175.56 35.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -66.65 -30.4 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.078 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -32.74 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -95.07 16.41 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.253 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.01 26.33 19.12 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.745 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.8 tp -130.5 146.94 52.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.361 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.11 -179.29 21.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 81' ' ' ILE . 28.2 mm -91.51 117.67 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -115.12 -177.58 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.0 mt -130.97 140.35 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.415 ' HA ' HG12 ' A' ' 66' ' ' VAL . 9.5 t -163.09 43.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.478 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -163.4 146.74 11.99 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.485 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -148.94 115.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.74 0.305 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.41 129.37 92.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.55 103.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.417 2.078 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.65 70.58 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 p -130.22 179.5 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.17 -51.6 65.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.591 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -60.25 -31.14 69.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -70.2 -36.2 74.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.37 -39.85 21.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -69.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.91 61.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.591 HD12 ' HB1' ' A' ' 59' ' ' ALA . 46.4 mt -123.21 122.39 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.63 -174.91 2.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 52' ' ' GLY . 14.5 m -95.16 136.88 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.1 -27.86 9.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -60.26 156.32 15.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.306 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -117.29 122.86 45.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.74 ' HA ' HG12 ' A' ' 100' ' ' VAL . 32.3 mt -77.95 133.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.88 -48.4 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -160.88 159.59 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 98' ' ' LEU . 21.1 t -141.82 126.3 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 60.38 31.28 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.76 27.39 67.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.07 146.16 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -74.64 118.0 17.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -109.15 29.78 7.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.0 mt -94.14 -51.61 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.769 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.507 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 17.5 t-20 -107.84 31.53 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.5 HG23 HD11 ' A' ' 48' ' ' ILE . 3.4 tt -84.71 147.54 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -74.07 155.33 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.832 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.1 t60 -62.9 -42.93 99.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.18 -40.15 74.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -63.28 -45.88 89.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.0 72.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 83' ' ' HIS . 27.5 t -77.09 -46.94 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -66.44 -44.57 82.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.64 -32.79 74.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 90' ' ' LEU . 31.1 mt -81.31 -21.17 39.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.93 57.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -158.74 -57.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -59.05 173.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.16 -35.5 8.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.476 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.1 t-160 -108.76 116.79 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 95' ' ' HIS . 8.9 mt -122.92 103.32 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.3 mt -107.77 77.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.559 ' HA ' HG22 ' A' ' 73' ' ' VAL . 4.0 mp -66.96 144.26 56.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 m -120.05 91.67 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.74 HG12 ' HA ' ' A' ' 70' ' ' ILE . 31.3 m -104.43 159.64 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -107.38 141.73 38.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.69 97.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.79 113.65 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 82.18 15.14 75.26 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.825 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.71 103.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.915 0.388 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' A' ' 107' ' ' PRO . 0.7 OUTLIER -83.05 145.99 50.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.771 ' HD2' HD23 ' A' ' 106' ' ' LEU . 58.6 Cg_endo -71.62 114.13 3.85 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.54 2.16 . . . . 0.0 112.396 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -76.91 143.74 39.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 163.12 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 60.61 86.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.98 -48.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.4 t -91.94 64.66 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 114' ' ' ASP . 21.4 t -65.52 157.51 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.453 ' N ' HG12 ' A' ' 113' ' ' VAL . 1.2 t0 -66.73 177.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -106.54 61.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 p -116.57 31.63 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -133.82 119.49 19.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -162.18 110.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 119' ' ' ILE . 17.5 tt -132.75 122.56 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -102.19 178.38 4.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.3 m -151.32 117.83 5.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 m -77.28 -47.64 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.5 p -170.86 -46.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 130.48 94.71 0.7 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.08 131.74 24.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.427 2.084 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m 61.03 97.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 54.1 p -123.24 32.03 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.568 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -122.91 -67.61 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -108.65 -34.08 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.09 -158.53 49.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 p -96.0 147.72 23.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.7 p -147.58 -51.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.9 178.54 23.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -146.98 146.28 30.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 61.36 113.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.92 -175.61 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.0 m -122.86 37.52 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 p -79.49 154.78 28.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.43 -52.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.3 m80 60.61 -177.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -94.17 168.52 10.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.78 -177.4 5.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -127.83 -58.31 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.85 -59.67 4.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.614 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.08 178.61 40.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.09 162.18 18.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.74 122.11 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -102.11 149.42 24.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 142.33 50.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.54 105.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -88.45 138.3 31.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.484 HD12 HD22 ' A' ' 34' ' ' LEU . 90.2 mt -131.89 129.9 40.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.7 t -102.41 109.02 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.687 HD22 ' CB ' ' A' ' 32' ' ' ARG . 71.4 mt -87.42 172.49 9.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.96 39.02 2.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.506 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 59.52 24.47 13.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 111.064 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.12 36.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.432 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.687 ' CB ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -118.79 -178.39 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.352 . . . . 0.0 110.899 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -139.83 157.15 46.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 96' ' ' LEU . 71.1 mt -82.09 -35.79 28.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.94 49.73 45.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 mt -118.09 124.38 47.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.7 m -81.95 92.12 6.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.6 pt -92.71 152.01 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -141.24 141.56 33.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.44 147.43 22.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.68 -168.66 38.26 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.43 ' HB2' ' C ' ' A' ' 80' ' ' ASN . . . -66.03 -39.32 90.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -63.34 -38.66 92.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -93.94 4.2 54.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.59 43.82 94.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.604 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.3 tp -145.77 157.32 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.37 -178.27 24.09 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.543 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.536 HG22 HD12 ' A' ' 70' ' ' ILE . 29.1 mm -97.36 118.73 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.432 ' CD1' ' HG2' ' A' ' 69' ' ' GLN . 70.2 m-85 -125.88 -175.02 3.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.585 HD12 ' HB2' ' A' ' 68' ' ' ASP . 28.5 mt -135.08 140.09 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.7 p -144.5 29.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.04 151.3 10.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.593 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.52 121.06 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.093 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.02 110.16 2.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.71 99.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.433 2.089 . . . . 0.0 112.286 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.69 30.23 4.98 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.531 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.7 p -100.81 178.16 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.17 -31.83 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 64' ' ' LEU . . . -75.66 -42.36 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.193 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -66.66 -35.47 80.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.19 -30.29 71.84 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.563 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.4 t -67.64 -57.59 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.96 49.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' CD1' ' HB1' ' A' ' 59' ' ' ALA . 7.9 mt -105.0 170.3 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.967 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 178.47 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.96 144.39 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.31 -23.13 32.67 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.543 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.585 ' HB2' HD12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -57.58 156.46 8.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.986 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.74 ' HB2' HG21 ' A' ' 103' ' ' VAL . 20.1 tm0? -122.07 116.44 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.536 HD12 HG22 ' A' ' 48' ' ' ILE . 36.1 mt -73.44 120.91 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.082 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.6 mt -89.46 -65.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 pm0 -140.26 153.99 46.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.98 125.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.594 HD21 HD23 ' A' ' 96' ' ' LEU . 8.3 m-80 60.57 30.7 19.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.59 27.98 56.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.84 128.82 50.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.3 m -67.64 110.31 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 3.5 m-85 -95.43 67.7 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 mt -120.42 -42.03 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.43 ' C ' ' HB2' ' A' ' 42' ' ' ALA . 57.5 t30 -115.93 37.82 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.539 HD11 ' HG2' ' A' ' 85' ' ' GLU . 2.3 tt -96.54 143.17 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.053 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.59 159.37 18.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.7 t60 -65.56 -45.58 82.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.23 -38.89 78.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.539 ' HG2' HD11 ' A' ' 81' ' ' ILE . 11.0 tt0 -60.21 -38.26 82.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.68 81.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.062 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.489 HG13 ' NZ ' ' A' ' 91' ' ' LYS . 21.4 t -77.91 -42.35 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -69.05 -44.22 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 27.7 tp -65.0 -37.77 88.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.532 ' O ' HD11 ' A' ' 96' ' ' LEU . 52.7 mt -73.91 -33.64 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.489 ' NZ ' HG13 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -108.37 67.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -160.78 -46.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -84.87 -175.24 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.29 -74.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -70.91 108.83 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.636 HD13 HD11 ' A' ' 34' ' ' LEU . 93.2 mt -115.32 107.65 15.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.9 83.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.86 140.77 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -120.61 96.26 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.87 171.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -137.43 167.83 20.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -65.72 94.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.74 HG21 ' HB2' ' A' ' 69' ' ' GLN . 26.6 t -118.69 -39.97 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -97.68 -14.87 39.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.792 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -55.87 107.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.369 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 107' ' ' PRO . 0.7 OUTLIER -164.65 130.09 2.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.786 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.426 ' O ' HD23 ' A' ' 106' ' ' LEU . 64.8 Cg_endo -73.76 -169.1 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.454 2.103 . . . . 0.0 112.313 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -133.36 174.95 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.6 171.23 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -114.05 91.46 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.3 t -138.33 157.68 45.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.98 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.05 146.36 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.24 -47.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -101.39 60.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.6 t -88.22 -30.6 19.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -59.4 112.67 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -164.38 -44.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.41 93.11 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.1 88.68 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.3 p -67.71 -61.1 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.9 t -105.38 147.45 28.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 p -151.81 107.74 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.2 -75.09 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.05 -10.34 28.1 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.584 2.19 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.9 t -56.96 -31.49 65.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -91.88 -57.66 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.527 -179.983 . . . . . . . . 0 0 . 1 stop_ save_